N-[(4-chlorophenyl)methyl]-2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(4-chlorophenyl)methyl]-2-[(5-ethyl-4-isopropyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(5-ethyl-4-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(4-chlorobenzyl)-2-[(5-ethyl-4-isopropyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H21ClN4OS MolecularWeight: 352.88214

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1C(C)C)SCC(=O)NCC2=CC=C(C=C2)Cl

Isomeric SMILES

CCC1=NN=C(N1C(C)C)SCC(=O)NCC2=CC=C(C=C2)Cl

InChI

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