2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[5-(4-tert-butylphenyl)-4-cyclopentyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-propan-1-one Formula: C24H34N4OS MolecularWeight: 426.61796

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=C(N2C3CCCC3)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C24H34N4OS/c1-17(22(29)27-15-7-8-16-27)30-23-26-25-21(28(23)20-9-5-6-10-20)18-11-13-19(14-12-18)24(2,3)4/h11-14,17,20H,5-10,15-16H2,1-4H3