N-[4-[[(E)-(3-azanyl-5-oxidanylidene-1H-pyrazol-4-ylidene)methyl]amino]phenyl]sulfonylethanamide

Systemtic Name: N-[4-[[(E)-(3-azanyl-5-oxidanylidene-1H-pyrazol-4-ylidene)methyl]amino]phenyl]sulfonylethanamide Openeye Name: N-[4-[[(E)-(3-amino-5-oxo-1H-pyrazol-4-ylidene)methyl]amino]phenyl]sulfonylacetamide CAS Name: N-[4-[[(E)-(3-amino-5-oxo-1H-pyrazol-4-ylidene)methyl]amino]phenyl]sulfonylacetamide IUPAC Name: N-[4-[[(E)-(3-amino-5-oxo-1H-pyrazol-4-ylidene)methyl]amino]phenyl]sulfonylacetamide Traditional Name: N-[4-[[(E)-(3-amino-5-keto-2-pyrazolin-4-ylidene)methyl]amino]phenyl]sulfonylacetamide Formula: C12H13N5O4S MolecularWeight: 323.32772

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)NC=C2C(=NNC2=O)N

Isomeric SMILES

CC(=O)NS(=O)(=O)C1=CC=C(C=C1)N/C=C/2\C(=NNC2=O)N

InChI

InChI=1S/C12H13N5O4S/c1-7(18)17-22(20,21)9-4-2-8(3-5-9)14-6-10-11(13)15-16-12(10)19/h2-6,14H,1H3,(H2,13,15)(H,16,19)(H,17,18)/b10-6+