N-[1-[[(3,4-dimethylphenyl)amino]methyl]-3-phenyl-5-sulfanylidene-1,2,4-triazol-4-yl]pyridine-4-carboxamide

Systemtic Name: N-[1-[[(3,4-dimethylphenyl)amino]methyl]-3-phenyl-5-sulfanylidene-1,2,4-triazol-4-yl]pyridine-4-carboxamide Openeye Name: N-[1-[(3,4-dimethylanilino)methyl]-3-phenyl-5-thioxo-1,2,4-triazol-4-yl]pyridine-4-carboxamide CAS Name: N-[1-[(3,4-dimethylanilino)methyl]-3-phenyl-5-sulfanylidene-1,2,4-triazol-4-yl]-4-pyridinecarboxamide IUPAC Name: N-[1-[(3,4-dimethylanilino)methyl]-3-phenyl-5-sulfanylidene-1,2,4-triazol-4-yl]pyridine-4-carboxamide Traditional Name: N-[1-[(3,4-dimethylanilino)methyl]-3-phenyl-5-thioxo-1,2,4-triazol-4-yl]isonicotinamide Formula: C23H22N6OS MolecularWeight: 430.52538

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NCN2C(=S)N(C(=N2)C3=CC=CC=C3)NC(=O)C4=CC=NC=C4)C

Isomeric SMILES

CC1=C(C=C(C=C1)NCN2C(=S)N(C(=N2)C3=CC=CC=C3)NC(=O)C4=CC=NC=C4)C

InChI

InChI=1S/C23H22N6OS/c1-16-8-9-20(14-17(16)2)25-15-28-23(31)29(21(26-28)18-6-4-3-5-7-18)27-22(30)19-10-12-24-13-11-19/h3-14,25H,15H2,1-2H3,(H,27,30)