(E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[5-(3-nitrophenyl)thiophen-2-yl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-3-[5-(3-nitrophenyl)thiophen-2-yl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-3-[5-(3-nitrophenyl)-2-thienyl]prop-2-enamide CAS Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-3-[5-(3-nitrophenyl)-2-thiophenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-3-[5-(3-nitrophenyl)thiophen-2-yl]prop-2-enamide Traditional Name: (E)-2-cyano-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)-3-[5-(3-nitrophenyl)-2-thienyl]acrylamide Formula: C25H19N5O4S MolecularWeight: 485.51446

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C(=CC3=CC=C(S3)C4=CC(=CC=C4)[N+](=O)[O-])C#N

Isomeric SMILES

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

InChI

InChI=1S/C25H19N5O4S/c1-16-23(25(32)29(28(16)2)19-8-4-3-5-9-19)27-24(31)18(15-26)14-21-11-12-22(35-21)17-7-6-10-20(13-17)30(33)34/h3-14H,1-2H3,(H,27,31)/b18-14+