1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone

Systemtic Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-3-pyrrolyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[1-(3-bromophenyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[1-(3-bromophenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C16H15BrN4OS MolecularWeight: 391.2855

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)CSC3=NC=NN3

Isomeric SMILES

CC1=CC(=C(N1C2=CC(=CC=C2)Br)C)C(=O)CSC3=NC=NN3

InChI

InChI=1S/C16H15BrN4OS/c1-10-6-14(15(22)8-23-16-18-9-19-20-16)11(2)21(10)13-5-3-4-12(17)7-13/h3-7,9H,8H2,1-2H3,(H,18,19,20)