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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(4-pentyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-amyl-1,2,4-triazol-3-yl)thio]-N-(4-chlorobenzyl)acetamide Formula: C16H21ClN4OS MolecularWeight: 352.88214

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCN1C=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl

InChI

InChI=1S/C16H21ClN4OS/c1-2-3-4-9-21-12-19-20-16(21)23-11-15(22)18-10-13-5-7-14(17)8-6-13/h5-8,12H,2-4,9-11H2,1H3,(H,18,22)