3-(4-chlorophenyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]prop-2-enamide

Systemtic Name: 3-(4-chlorophenyl)-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]prop-2-enamide Openeye Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(4-chlorophenyl)prop-2-enamide CAS Name: 3-(4-chlorophenyl)-N-[3-methyl-5-(phenylmethylthio)-1,2,4-triazol-4-yl]-2-propenamide IUPAC Name: N-(3-benzylsulfanyl-5-methyl-1,2,4-triazol-4-yl)-3-(4-chlorophenyl)prop-2-enamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3-(4-chlorophenyl)acrylamide Formula: C19H17ClN4OS MolecularWeight: 384.88248

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C=CC2=CC=C(C=C2)Cl)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C=CC2=CC=C(C=C2)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C19H17ClN4OS/c1-14-21-22-19(26-13-16-5-3-2-4-6-16)24(14)23-18(25)12-9-15-7-10-17(20)11-8-15/h2-12H,13H2,1H3,(H,23,25)