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

Systemtic Name: 2-chloranyl-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)-2-chloro-pyridine-3-carboxamide CAS Name: 2-chloro-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)-2-chloropyridine-3-carboxamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-2-chloro-nicotinamide Formula: C16H14ClN5OS MolecularWeight: 359.83326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5OS/c1-11-19-20-16(24-10-12-6-3-2-4-7-12)22(11)21-15(23)13-8-5-9-18-14(13)17/h2-9H,10H2,1H3,(H,21,23)