6-chloranyl-N-[3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine-3-carboxamide

Systemtic Name: 6-chloranyl-N-[3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine-3-carboxamide Openeye Name: 6-chloro-N-[3-(o-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-yl]pyridine-3-carboxamide CAS Name: 6-chloro-N-[3-[(2-methylphenyl)methylthio]-1H-1,2,4-triazol-5-yl]-3-pyridinecarboxamide IUPAC Name: 6-chloro-N-[3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-yl]pyridine-3-carboxamide Traditional Name: 6-chloro-N-[3-[(2-methylbenzyl)thio]-1H-1,2,4-triazol-5-yl]nicotinamide Formula: C16H14ClN5OS MolecularWeight: 359.83326

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSC2=NNC(=N2)NC(=O)C3=CN=C(C=C3)Cl

Isomeric SMILES

CC1=CC=CC=C1CSC2=NNC(=N2)NC(=O)C3=CN=C(C=C3)Cl

InChI

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