N-[5-[(4-chlorophenyl)methylsulfanyl]-1-ethanoyl-1,2,4-triazol-3-yl]ethanamide

Systemtic Name: N-[5-[(4-chlorophenyl)methylsulfanyl]-1-ethanoyl-1,2,4-triazol-3-yl]ethanamide Openeye Name: N-[1-acetyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]acetamide CAS Name: N-[1-acetyl-5-[(4-chlorophenyl)methylthio]-1,2,4-triazol-3-yl]acetamide IUPAC Name: N-[1-acetyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]acetamide Traditional Name: N-[1-acetyl-5-[(4-chlorobenzyl)thio]-1,2,4-triazol-3-yl]acetamide Formula: C13H13ClN4O2S MolecularWeight: 324.78592

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(=N1)SCC2=CC=C(C=C2)Cl)C(=O)C

Isomeric SMILES

CC(=O)NC1=NN(C(=N1)SCC2=CC=C(C=C2)Cl)C(=O)C

InChI

InChI=1S/C13H13ClN4O2S/c1-8(19)15-12-16-13(18(17-12)9(2)20)21-7-10-3-5-11(14)6-4-10/h3-6H,7H2,1-2H3,(H,15,17,19)