1-[4-[(3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methyl-pyrazole-3-carboxylic acid

Systemtic Name: 1-[4-[(3-cyclohexyl-4-oxidanylidene-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methyl-pyrazole-3-carboxylic acid Openeye Name: 1-[4-(3-cyclohexyl-4-oxo-2-thioxo-hexahydropyrimidin-1-yl)sulfonylphenyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methyl-3-pyrazolecarboxylic acid IUPAC Name: 1-[4-[(3-cyclohexyl-4-oxo-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-5-methylpyrazole-3-carboxylic acid Traditional Name: 1-[4-(3-cyclohexyl-4-keto-2-thioxo-hexahydropyrimidin-1-yl)sulfonylphenyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C21H24N4O5S2 MolecularWeight: 476.56906

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)N3CCC(=O)N(C3=S)C4CCCCC4)C(=O)O

Isomeric SMILES

CC1=CC(=NN1C2=CC=C(C=C2)S(=O)(=O)N3CCC(=O)N(C3=S)C4CCCCC4)C(=O)O

InChI

InChI=1S/C21H24N4O5S2/c1-14-13-18(20(27)28)22-25(14)16-7-9-17(10-8-16)32(29,30)23-12-11-19(26)24(21(23)31)15-5-3-2-4-6-15/h7-10,13,15H,2-6,11-12H2,1H3,(H,27,28)