(5-methyl-2-propan-2-yl-cyclohexyl) 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: (5-methyl-2-propan-2-yl-cyclohexyl) 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: (2-isopropyl-5-methyl-cyclohexyl) 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-phenyl-5-[3-(1-pyrrolidinylsulfonyl)phenyl]-1,2,4-triazol-3-yl]thio]acetic acid (5-methyl-2-propan-2-ylcyclohexyl) ester IUPAC Name: (5-methyl-2-propan-2-ylcyclohexyl) 2-[[4-phenyl-5-(3-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-phenyl-5-(3-pyrrolidinosulfonylphenyl)-1,2,4-triazol-3-yl]thio]acetic acid (2-isopropyl-5-methyl-cyclohexyl) ester Formula: C30H38N4O4S2 MolecularWeight: 582.77712

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(C(C1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5)C(C)C

Isomeric SMILES

CC1CCC(C(C1)OC(=O)CSC2=NN=C(N2C3=CC=CC=C3)C4=CC(=CC=C4)S(=O)(=O)N5CCCC5)C(C)C

InChI

InChI=1S/C30H38N4O4S2/c1-21(2)26-15-14-22(3)18-27(26)38-28(35)20-39-30-32-31-29(34(30)24-11-5-4-6-12-24)23-10-9-13-25(19-23)40(36,37)33-16-7-8-17-33/h4-6,9-13,19,21-22,26-27H,7-8,14-18,20H2,1-3H3