2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide

Systemtic Name: 2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Openeye Name: 2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide CAS Name: 2-(phenylthio)-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]-3-pyridinecarboxamide IUPAC Name: 2-phenylsulfanyl-N-[[4-(1,2,4-triazol-1-ylmethyl)phenyl]methyl]pyridine-3-carboxamide Traditional Name: 2-(phenylthio)-N-[4-(1,2,4-triazol-1-ylmethyl)benzyl]nicotinamide Formula: C22H19N5OS MolecularWeight: 401.48416

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

Isomeric SMILES

C1=CC=C(C=C1)SC2=C(C=CC=N2)C(=O)NCC3=CC=C(C=C3)CN4C=NC=N4

InChI

InChI=1S/C22H19N5OS/c28-21(20-7-4-12-24-22(20)29-19-5-2-1-3-6-19)25-13-17-8-10-18(11-9-17)14-27-16-23-15-26-27/h1-12,15-16H,13-14H2,(H,25,28)