N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzenesulfonamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzenesulfonamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzenesulfonamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzenesulfonamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzenesulfonamide Formula: C21H19N5O5S3 MolecularWeight: 517.60106

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CSC(=N1)SC2=C(C=C(C=C2)S(=O)(=O)NC3=C(N(N(C3=O)C4=CC=CC=C4)C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H19N5O5S3/c1-13-12-32-21(22-13)33-18-10-9-16(11-17(18)26(28)29)34(30,31)23-19-14(2)24(3)25(20(19)27)15-7-5-4-6-8-15/h4-12,23H,1-3H3