2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone

Systemtic Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Openeye Name: 1-(1-methylpyrrol-2-yl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-methyl-2-pyrrolyl)ethanone IUPAC Name: 2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-methylpyrrol-2-yl)ethanone Traditional Name: 1-(1-methylpyrrol-2-yl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C16H16N4OS MolecularWeight: 312.38944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC(=O)C3=CC=CN3C

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC(=O)C3=CC=CN3C

InChI

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