Chemical ID: 7532845

CCn1c(nnc1SCC(=O)Nc2ccccc2C#N)c3ccc(cc3)Cl
Chemical ID:
7532845
Name [?]:
2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)-acetamide
SMILES [?]:
CCn1c(nnc1SCC(=O)Nc2ccccc2C#N)c3ccc(cc3)Cl
InChi [?]:
InChI=1/C19H16ClN5OS/c1-2-25-18(13-7-9-15(20)10-8-13)23-24-19(25)27-12-17(26)22-16-6-4-3-5-14(16)11-21/h3-10H,2,12H2,1H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,2,16,15,17,14,22,26,23,25,19,9,21,18,24,13,10,4,7,27,20,12,5,6,3,11,8/E:(7,8)(9,10)/rA:27nCCNCNNCSCCONCCCCCCCNCCCCCCCl/rB:s1;s2;s3;d4;s5;s3d6;s7;s8;s9;d10;s10;s12;s13;d14;s15;d16;d13s17;s18;t19;s4;s21;d22;s23;d24;d21s25;s24;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H16ClN5OS
All Atoms:43
Heavy Atoms:27
Chiral Atoms:None
ZAP Information [?]
Total:12.7452
Area:627.979
Solvation:-2.95431
Coulombic:-38.1096
Bond Count [?]
All:29
Single:19
Double:9
Rotors:7
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:5.73
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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