Chemical ID: 7142482

Cc1ccc(c(c1)N2C(=O)C(=Cc3cccnc3)SC2=S)C
Chemical ID:
7142482
Name [?]:
3-(2,5-dimethylphenyl)-5-(3-pyridylmethylene)-2-thioxo-thiazolidin-4-one
SMILES [?]:
Cc1ccc(c(c1)N2C(=O)C(=Cc3cccnc3)SC2=S)C
InChi [?]:
InChI=1/C17H14N2OS2/c1-11-5-6-12(2)14(8-11)19-16(20)15(22-17(19)21)9-13-4-3-7-18-10-13/h3-10H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,22,15,14,3,4,16,7,12,18,2,5,13,6,11,9,20,17,8,10,21,19/rA:22nCCCCCCCNCOCCCCCCNCSCSC/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;d9;s9;w11;s12;s13;d14;s15;d16;d13s17;s11;s8s19;d20;s5;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H14N2OS2
All Atoms:36
Heavy Atoms:22
Chiral Atoms:None
ZAP Information [?]
Total:10.4862
Area:508.438
Solvation:-2.22477
Coulombic:-23.8438
Bond Count [?]
All:24
Single:15
Double:9
Rotors:2
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:2.8
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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