2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone

Systemtic Name: 2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Openeye Name: 2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-[2-(2-thienyl)pyrrolidin-1-yl]ethanone CAS Name: 2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-1-(2-thiophen-2-yl-1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(2-thiophen-2-ylpyrrolidin-1-yl)ethanone Traditional Name: 2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-1-[2-(2-thienyl)pyrrolidino]ethanone Formula: C20H22N4OS2 MolecularWeight: 398.54488

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCC3C4=CC=CS4)C

Isomeric SMILES

CC1=CC=CC=C1N2C(=NN=C2SCC(=O)N3CCCC3C4=CC=CS4)C

InChI

InChI=1S/C20H22N4OS2/c1-14-7-3-4-8-16(14)24-15(2)21-22-20(24)27-13-19(25)23-11-5-9-17(23)18-10-6-12-26-18/h3-4,6-8,10,12,17H,5,9,11,13H2,1-2H3