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

Systemtic Name: 5-methyl-1-[4-[(4-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]pyrazole-3-carboxylic acid Openeye Name: 1-[4-(3-allyl-4-oxo-2-thioxo-hexahydropyrimidin-1-yl)sulfonylphenyl]-5-methyl-pyrazole-3-carboxylic acid CAS Name: 5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]-3-pyrazolecarboxylic acid IUPAC Name: 5-methyl-1-[4-[(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-diazinan-1-yl)sulfonyl]phenyl]pyrazole-3-carboxylic acid Traditional Name: 1-[4-(3-allyl-4-keto-2-thioxo-hexahydropyrimidin-1-yl)sulfonylphenyl]-5-methyl-pyrazole-3-carboxylic acid Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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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)CC=C)C(=O)O

Isomeric SMILES

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

InChI

InChI=1S/C18H18N4O5S2/c1-3-9-20-16(23)8-10-21(18(20)28)29(26,27)14-6-4-13(5-7-14)22-12(2)11-15(19-22)17(24)25/h3-7,11H,1,8-10H2,2H3,(H,24,25)