3-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-6-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-6-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-6-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-6-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-6-nitro-benzothiophene-2-carboxamide Formula: C20H15ClN4O4S MolecularWeight: 442.8755

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=C(C4=C(S3)C=C(C=C4)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H15ClN4O4S/c1-11-17(20(27)24(23(11)2)12-6-4-3-5-7-12)22-19(26)18-16(21)14-9-8-13(25(28)29)10-15(14)30-18/h3-10H,1-2H3,(H,22,26)