2-(3,4-dimethylphenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide

Systemtic Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide Openeye Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide CAS Name: 2-[(3,4-dimethylphenyl)thio]-N-(1H-1,2,4-triazol-5-yl)-3-pyridinecarboxamide IUPAC Name: 2-(3,4-dimethylphenyl)sulfanyl-N-(1H-1,2,4-triazol-5-yl)pyridine-3-carboxamide Traditional Name: 2-[(3,4-dimethylphenyl)thio]-N-(1H-1,2,4-triazol-5-yl)nicotinamide Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=NC=NN3)C

Isomeric SMILES

CC1=C(C=C(C=C1)SC2=C(C=CC=N2)C(=O)NC3=NC=NN3)C

InChI

InChI=1S/C16H15N5OS/c1-10-5-6-12(8-11(10)2)23-15-13(4-3-7-17-15)14(22)20-16-18-9-19-21-16/h3-9H,1-2H3,(H2,18,19,20,21,22)