N-[4-(cyanomethyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[4-(cyanomethyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[4-(cyanomethyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[4-(cyanomethyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[4-(cyanomethyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[4-(cyanomethyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)CC#N

Isomeric SMILES

CN1C=NN=C1SCC(=O)NC2=CC=C(C=C2)CC#N

InChI

InChI=1S/C13H13N5OS/c1-18-9-15-17-13(18)20-8-12(19)16-11-4-2-10(3-5-11)6-7-14/h2-5,9H,6,8H2,1H3,(H,16,19)