3-[3,5-bis(chloranyl)-2-methoxy-phenyl]-N-[3-methyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]prop-2-enamide

Systemtic Name: 3-[3,5-bis(chloranyl)-2-methoxy-phenyl]-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-(3,5-dichloro-2-methoxy-phenyl)prop-2-enamide CAS Name: 3-(3,5-dichloro-2-methoxyphenyl)-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-(3,5-dichloro-2-methoxyphenyl)prop-2-enamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3-(3,5-dichloro-2-methoxy-phenyl)acrylamide Formula: C20H18Cl2N4O2S MolecularWeight: 449.35352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1NC(=O)C=CC2=CC(=CC(=C2OC)Cl)Cl)SCC3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(N1NC(=O)C=CC2=CC(=CC(=C2OC)Cl)Cl)SCC3=CC=CC=C3

InChI

InChI=1S/C20H18Cl2N4O2S/c1-13-23-24-20(29-12-14-6-4-3-5-7-14)26(13)25-18(27)9-8-15-10-16(21)11-17(22)19(15)28-2/h3-11H,12H2,1-2H3,(H,25,27)