Chemical ID: 7142437

CCc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3cc(ccc3C)C
Chemical ID:
7142437
Name [?]:
3-(2,5-dimethylphenyl)-5-[(4-ethylphenyl)methylene]-2-thioxo-thiazolidin-4-one
SMILES [?]:
CCc1ccc(cc1)C=C2C(=O)N(C(=S)S2)c3cc(ccc3C)C
InChi [?]:
InChI=1/C20H19NOS2/c1-4-15-7-9-16(10-8-15)12-18-19(22)21(20(23)24-18)17-11-13(2)5-6-14(17)3/h5-12H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,24,23,2,20,21,4,8,5,7,18,9,19,22,3,6,17,10,11,14,13,12,15,16/E:(7,8)(9,10)/rA:24nCCCCCCCCCCCONCSSCCCCCCCC/rB:s1;s2;s3;d4;s5;d6;d3s7;s6;w9;s10;d11;s11;s13;d14;s10s14;s13;s17;d18;s19;d20;d17s21;s22;s19;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C20H19NOS2
All Atoms:43
Heavy Atoms:24
Chiral Atoms:None
ZAP Information [?]
Total:12.3956
Area:557.718
Solvation:-1.54736
Coulombic:-21.2448
Bond Count [?]
All:26
Single:17
Double:9
Rotors:3
Chiral:None
Rigid Segments:None
Chemical Properties
Molecular Weight:None
H-Bond Donors:None
H-Bond Acceptors:None
XLogP:4.96
LogP (Chemaxon):None

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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