N-[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]-4-methyl-3-nitro-benzenesulfonamide

Systemtic Name: N-[2-(5-azanyl-4-cyano-pyrazol-1-yl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Openeye Name: N-[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]-4-methyl-3-nitro-benzenesulfonamide CAS Name: N-[2-(5-amino-4-cyano-1-pyrazolyl)phenyl]-4-methyl-3-nitrobenzenesulfonamide IUPAC Name: N-[2-(5-amino-4-cyanopyrazol-1-yl)phenyl]-4-methyl-3-nitrobenzenesulfonamide Traditional Name: N-[2-(5-amino-4-cyano-pyrazol-1-yl)phenyl]-4-methyl-3-nitro-benzenesulfonamide Formula: C17H14N6O4S MolecularWeight: 398.39586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3C(=C(C=N3)C#N)N)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC=C2N3C(=C(C=N3)C#N)N)[N+](=O)[O-]

InChI

InChI=1S/C17H14N6O4S/c1-11-6-7-13(8-16(11)23(24)25)28(26,27)21-14-4-2-3-5-15(14)22-17(19)12(9-18)10-20-22/h2-8,10,21H,19H2,1H3