2-[[5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[4-(2-isopropylphenyl)-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(4-methylphenyl)-4-(2-propan-2-ylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[4-o-cumenyl-5-(p-tolyl)-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3C(C)C)SCC(=O)N4CCCC4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=CC=C3C(C)C)SCC(=O)N4CCCC4

InChI

InChI=1S/C24H28N4OS/c1-17(2)20-8-4-5-9-21(20)28-23(19-12-10-18(3)11-13-19)25-26-24(28)30-16-22(29)27-14-6-7-15-27/h4-5,8-13,17H,6-7,14-16H2,1-3H3