1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromo-4-methoxy-phenyl)ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[[5-methyl-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromo-4-methoxyphenyl)ethanone Traditional Name: 2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(3-bromo-4-methoxy-phenyl)ethanone Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)OC)Br

Isomeric SMILES

CC1=NN=C(N1CC2=CC=CC=C2)SCC(=O)C3=CC(=C(C=C3)OC)Br

InChI

InChI=1S/C19H18BrN3O2S/c1-13-21-22-19(23(13)11-14-6-4-3-5-7-14)26-12-17(24)15-8-9-18(25-2)16(20)10-15/h3-10H,11-12H2,1-2H3