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

Systemtic Name: N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitro-benzamide Openeye Name: N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-4-(4-methylthiazol-2-yl)sulfanyl-3-nitro-benzamide CAS Name: N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-[(4-methyl-2-thiazolyl)thio]-3-nitrobenzamide IUPAC Name: N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]-3-nitrobenzamide Traditional Name: N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-4-[(4-methylthiazol-2-yl)thio]-3-nitro-benzamide Formula: C22H19N5O4S2 MolecularWeight: 481.54736

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H19N5O4S2/c1-13-12-32-22(23-13)33-18-10-9-15(11-17(18)27(30)31)20(28)24-19-14(2)25(3)26(21(19)29)16-7-5-4-6-8-16/h4-12H,1-3H3,(H,24,28)