3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-[4-(phenylsulfanylmethyl)phenyl]pyrazole-4-carboxylic acid

Systemtic Name: 3-[(4-methylcyclohexyl)carbonyl-propan-2-yl-amino]-1-[4-(phenylsulfanylmethyl)phenyl]pyrazole-4-carboxylic acid Openeye Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[4-(phenylsulfanylmethyl)phenyl]pyrazole-4-carboxylic acid CAS Name: 3-[[(4-methylcyclohexyl)-oxomethyl]-propan-2-ylamino]-1-[4-[(phenylthio)methyl]phenyl]-4-pyrazolecarboxylic acid IUPAC Name: 3-[(4-methylcyclohexanecarbonyl)-propan-2-ylamino]-1-[4-(phenylsulfanylmethyl)phenyl]pyrazole-4-carboxylic acid Traditional Name: 3-[isopropyl-(4-methylcyclohexanecarbonyl)amino]-1-[4-[(phenylthio)methyl]phenyl]pyrazole-4-carboxylic acid Formula: C28H33N3O3S MolecularWeight: 491.64492

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)CSC4=CC=CC=C4)C(C)C

Isomeric SMILES

CC1CCC(CC1)C(=O)N(C2=NN(C=C2C(=O)O)C3=CC=C(C=C3)CSC4=CC=CC=C4)C(C)C

InChI

InChI=1S/C28H33N3O3S/c1-19(2)31(27(32)22-13-9-20(3)10-14-22)26-25(28(33)34)17-30(29-26)23-15-11-21(12-16-23)18-35-24-7-5-4-6-8-24/h4-8,11-12,15-17,19-20,22H,9-10,13-14,18H2,1-3H3,(H,33,34)