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

Systemtic Name: 3-(5-bromanyl-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-(5-bromo-2-methoxy-phenyl)prop-2-enamide CAS Name: 3-(5-bromo-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-(5-bromo-2-methoxyphenyl)prop-2-enamide Traditional Name: N-[3-(benzylthio)-5-methyl-1,2,4-triazol-4-yl]-3-(5-bromo-2-methoxy-phenyl)acrylamide Formula: C20H19BrN4O2S MolecularWeight: 459.35946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19BrN4O2S/c1-14-22-23-20(28-13-15-6-4-3-5-7-15)25(14)24-19(26)11-8-16-12-17(21)9-10-18(16)27-2/h3-12H,13H2,1-2H3,(H,24,26)