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

Systemtic Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Openeye Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone CAS Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-3-pyrrolyl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone IUPAC Name: 1-[1-(4-methoxyphenyl)-2,5-dimethylpyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylsulfanyl)ethanone Traditional Name: 1-[1-(4-methoxyphenyl)-2,5-dimethyl-pyrrol-3-yl]-2-(1H-1,2,4-triazol-5-ylthio)ethanone Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N4O2S/c1-11-8-15(16(22)9-24-17-18-10-19-20-17)12(2)21(11)13-4-6-14(23-3)7-5-13/h4-8,10H,9H2,1-3H3,(H,18,19,20)