N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide

Systemtic Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-(6-oxidanylidenecyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Openeye Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide CAS Name: N-[4-[(4-methyl-2-pyrimidinyl)sulfamoyl]phenyl]-5-(6-oxo-1-cyclohexa-2,4-dienylidene)-1,2-dihydropyrazole-3-carboxamide IUPAC Name: N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-5-(6-oxocyclohexa-2,4-dien-1-ylidene)-1,2-dihydropyrazole-3-carboxamide Traditional Name: 5-(6-ketocyclohexa-2,4-dien-1-ylidene)-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-3-pyrazoline-3-carboxamide Formula: C21H18N6O4S MolecularWeight: 450.47042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C4C=CC=CC4=O)NN3

Isomeric SMILES

CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)NC(=O)C3=CC(=C4C=CC=CC4=O)NN3

InChI

InChI=1S/C21H18N6O4S/c1-13-10-11-22-21(23-13)27-32(30,31)15-8-6-14(7-9-15)24-20(29)18-12-17(25-26-18)16-4-2-3-5-19(16)28/h2-12,25-26H,1H3,(H,24,29)(H,22,23,27)