N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide Openeye Name: N-[2-(p-tolylmethylsulfanyl)ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-2-(1,2,4-triazol-1-yl)-3-pyridinecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-2-(1,2,4-triazol-1-yl)pyridine-3-carboxamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-2-(1,2,4-triazol-1-yl)nicotinamide Formula: C18H19N5OS MolecularWeight: 353.44136

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2=C(N=CC=C2)N3C=NC=N3

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2=C(N=CC=C2)N3C=NC=N3

InChI

InChI=1S/C18H19N5OS/c1-14-4-6-15(7-5-14)11-25-10-9-21-18(24)16-3-2-8-20-17(16)23-13-19-12-22-23/h2-8,12-13H,9-11H2,1H3,(H,21,24)