N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide Openeye Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide CAS Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-6-(1,2,4-triazol-1-yl)-3-pyridinecarboxamide IUPAC Name: N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-6-(1,2,4-triazol-1-yl)pyridine-3-carboxamide Traditional Name: N-[4-[(3,4-dimethylphenyl)thio]phenyl]-6-(1,2,4-triazol-1-yl)nicotinamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)N4C=NC=N4)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)NC(=O)C3=CN=C(C=C3)N4C=NC=N4)C

InChI

InChI=1S/C22H19N5OS/c1-15-3-7-20(11-16(15)2)29-19-8-5-18(6-9-19)26-22(28)17-4-10-21(24-12-17)27-14-23-13-25-27/h3-14H,1-2H3,(H,26,28)