(E)-2-cyano-N-(2-methoxyphenyl)-3-[4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-phenyl]prop-2-enamide

Systemtic Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[4-[(6-methyl-4-oxidanylidene-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-phenyl]prop-2-enamide Openeye Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitro-phenyl]prop-2-enamide CAS Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)thio]-3-nitrophenyl]-2-propenamide IUPAC Name: (E)-2-cyano-N-(2-methoxyphenyl)-3-[4-[(6-methyl-4-oxo-1H-pyrimidin-2-yl)sulfanyl]-3-nitrophenyl]prop-2-enamide Traditional Name: (E)-2-cyano-3-[4-[(4-keto-6-methyl-1H-pyrimidin-2-yl)thio]-3-nitro-phenyl]-N-(2-methoxyphenyl)acrylamide Formula: C22H17N5O5S MolecularWeight: 463.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)C=C(C#N)C(=O)NC3=CC=CC=C3OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=O)N=C(N1)SC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)NC3=CC=CC=C3OC)[N+](=O)[O-]

InChI

InChI=1S/C22H17N5O5S/c1-13-9-20(28)26-22(24-13)33-19-8-7-14(11-17(19)27(30)31)10-15(12-23)21(29)25-16-5-3-4-6-18(16)32-2/h3-11H,1-2H3,(H,25,29)(H,24,26,28)/b15-10+