Chemical ID: 6506883

Cc1ccc(cc1)C2=NC(=S)C(C(=C2)c3ccccc3)C#N
Chemical ID:
6506883
Name [?]:
4-phenyl-6-(p-tolyl)-2-thioxo-3H-pyridine-3-carbonitrile
SMILES [?]:
Cc1ccc(cc1)C2=NC(=S)C(C(=C2)c3ccccc3)C#N
InChi [?]:
InChI=1/C19H14N2S/c1-13-7-9-15(10-8-13)18-11-16(14-5-3-2-4-6-14)17(12-20)19(22)21-18/h2-11,17H,1H3
InChi Info:
AuxInfo=1/0/N:1,18,17,19,16,20,3,7,4,6,14,21,2,15,5,13,12,8,10,22,9,11/E:(3,4)(5,6)(7,8)(9,10)/rA:22cCCCCCCCCNCSCCCCCCCCCCN/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;d10;s10;s12;s8d13;s13;s15;d16;s17;d18;d15s19;s12;t21;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H14N2S
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.884
Area:511.316
Solvation:-1.89892
Coulombic:-11.8374
Bond Count [?]
All:24
Single:14
Double:9
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:302.394
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.38
LogP (Chemaxon):4.8

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Descriptor Annotations

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