N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]pyridine-3-carboxamide

Systemtic Name: N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]pyridine-3-carboxamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)pyridine-3-carboxamide CAS Name: N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-3-pyridinecarboxamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)pyridine-3-carboxamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]nicotinamide Formula: C16H15N5OS MolecularWeight: 325.3882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C2=CN=CC=C2)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C2=CN=CC=C2)SCC3=CC=CC=C3

InChI

InChI=1S/C16H15N5OS/c1-12-18-19-16(23-11-13-6-3-2-4-7-13)21(12)20-15(22)14-8-5-9-17-10-14/h2-10H,11H2,1H3,(H,20,22)