1-[[5-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one

Systemtic Name: 1-[[5-[2-(4-cyclohexylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Openeye Name: 1-[[5-[2-(4-cyclohexylphenyl)-2-oxo-ethyl]sulfanyl-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one CAS Name: 1-[[5-[[2-(4-cyclohexylphenyl)-2-oxoethyl]thio]-4-(2-pyridinyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidinone IUPAC Name: 1-[[5-[2-(4-cyclohexylphenyl)-2-oxoethyl]sulfanyl-4-pyridin-2-yl-1,2,4-triazol-3-yl]methyl]pyrrolidin-2-one Traditional Name: 1-[[5-[[2-(4-cyclohexylphenyl)-2-keto-ethyl]thio]-4-(2-pyridyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidone Formula: C26H29N5O2S MolecularWeight: 475.60576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=N4)CN5CCCC5=O

Isomeric SMILES

C1CCC(CC1)C2=CC=C(C=C2)C(=O)CSC3=NN=C(N3C4=CC=CC=N4)CN5CCCC5=O

InChI

InChI=1S/C26H29N5O2S/c32-22(21-13-11-20(12-14-21)19-7-2-1-3-8-19)18-34-26-29-28-24(17-30-16-6-10-25(30)33)31(26)23-9-4-5-15-27-23/h4-5,9,11-15,19H,1-3,6-8,10,16-18H2