(Z)-N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-3-(4-nitrophenyl)prop-2-enamide

Systemtic Name: (Z)-N-[2-(5,6-dimethyl-4-oxidanylidene-1H-pyrimidin-2-yl)-5-thiophen-2-yl-pyrazol-3-yl]-3-(4-nitrophenyl)prop-2-enamide Openeye Name: (Z)-N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-3-(4-nitrophenyl)prop-2-enamide CAS Name: (Z)-N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-yl-3-pyrazolyl]-3-(4-nitrophenyl)-2-propenamide IUPAC Name: (Z)-N-[2-(5,6-dimethyl-4-oxo-1H-pyrimidin-2-yl)-5-thiophen-2-ylpyrazol-3-yl]-3-(4-nitrophenyl)prop-2-enamide Traditional Name: (Z)-N-[2-(4-keto-5,6-dimethyl-1H-pyrimidin-2-yl)-5-(2-thienyl)pyrazol-3-yl]-3-(4-nitrophenyl)acrylamide Formula: C22H18N6O4S MolecularWeight: 462.48112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)C=CC4=CC=C(C=C4)[N+](=O)[O-])C

Isomeric SMILES

CC1=C(NC(=NC1=O)N2C(=CC(=N2)C3=CC=CS3)NC(=O)/C=C\C4=CC=C(C=C4)[N+](=O)[O-])C

InChI

InChI=1S/C22H18N6O4S/c1-13-14(2)23-22(25-21(13)30)27-19(12-17(26-27)18-4-3-11-33-18)24-20(29)10-7-15-5-8-16(9-6-15)28(31)32/h3-12H,1-2H3,(H,24,29)(H,23,25,30)/b10-7-