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

Systemtic Name: 2-[[4-(4-chlorophenyl)-5-[(phenylmethylsulfanyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[5-(benzylsulfanylmethyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-(4-chlorophenyl)-5-[(phenylmethylthio)methyl]-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[5-(benzylsulfanylmethyl)-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[5-[(benzylthio)methyl]-4-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H17ClN4OS2 MolecularWeight: 404.93678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)CSCC2=NN=C(N2C3=CC=C(C=C3)Cl)SCC(=O)N

InChI

InChI=1S/C18H17ClN4OS2/c19-14-6-8-15(9-7-14)23-17(21-22-18(23)26-11-16(20)24)12-25-10-13-4-2-1-3-5-13/h1-9H,10-12H2,(H2,20,24)