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

Systemtic Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H16N4OS/c1-11-8-14(15(21)9-22-16-17-10-18-19-16)12(2)20(11)13-6-4-3-5-7-13/h3-8,10H,9H2,1-2H3,(H,17,18,19)