5-[2-(4-methoxyphenyl)-4,4-bis(methylsulfanyl)-2-oxidanyl-but-3-enyl]-3-methyl-pyrazole-1-carboxylic acid

Systemtic Name: 5-[2-(4-methoxyphenyl)-4,4-bis(methylsulfanyl)-2-oxidanyl-but-3-enyl]-3-methyl-pyrazole-1-carboxylic acid Openeye Name: 5-[2-hydroxy-2-(4-methoxyphenyl)-4,4-bis(methylsulfanyl)but-3-enyl]-3-methyl-pyrazole-1-carboxylic acid CAS Name: 5-[2-hydroxy-2-(4-methoxyphenyl)-4,4-bis(methylthio)but-3-enyl]-3-methyl-1-pyrazolecarboxylic acid IUPAC Name: 5-[2-hydroxy-2-(4-methoxyphenyl)-4,4-bis(methylsulfanyl)but-3-enyl]-3-methylpyrazole-1-carboxylic acid Traditional Name: 5-[2-hydroxy-2-(4-methoxyphenyl)-4,4-bis(methylthio)but-3-enyl]-3-methyl-pyrazole-1-carboxylic acid Formula: C18H22N2O4S2 MolecularWeight: 394.50828

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)CC(C=C(SC)SC)(C2=CC=C(C=C2)OC)O)C(=O)O

Isomeric SMILES

CC1=NN(C(=C1)CC(C=C(SC)SC)(C2=CC=C(C=C2)OC)O)C(=O)O

InChI

InChI=1S/C18H22N2O4S2/c1-12-9-14(20(19-12)17(21)22)10-18(23,11-16(25-3)26-4)13-5-7-15(24-2)8-6-13/h5-9,11,23H,10H2,1-4H3,(H,21,22)