1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[2,5-dimethyl-1-(4-methylphenyl)-3-pyrrolyl]-2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[2,5-dimethyl-1-(4-methylphenyl)pyrrol-3-yl]-2-[[5-(4-methoxyphenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[2,5-dimethyl-1-(p-tolyl)pyrrol-3-yl]-2-[[4-isobutyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C28H32N4O2S MolecularWeight: 488.64428

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C(N3CC(C)C)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=CC(=C2C)C(=O)CSC3=NN=C(N3CC(C)C)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C28H32N4O2S/c1-18(2)16-31-27(22-9-13-24(34-6)14-10-22)29-30-28(31)35-17-26(33)25-15-20(4)32(21(25)5)23-11-7-19(3)8-12-23/h7-15,18H,16-17H2,1-6H3