N-(3-chloranyl-4-methoxy-phenyl)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide

Systemtic Name: N-(3-chloranyl-4-methoxy-phenyl)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide Openeye Name: N-(3-chloro-4-methoxy-phenyl)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide CAS Name: N-(3-chloro-4-methoxyphenyl)-2-cyano-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propenamide IUPAC Name: N-(3-chloro-4-methoxyphenyl)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enamide Traditional Name: N-(3-chloro-4-methoxy-phenyl)-2-cyano-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylamide Formula: C21H14ClN5O4S MolecularWeight: 467.88496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C#N)Cl

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)C(=CC2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])C#N)Cl

InChI

InChI=1S/C21H14ClN5O4S/c1-31-18-5-4-15(11-16(18)22)26-20(28)14(12-23)9-13-3-6-19(17(10-13)27(29)30)32-21-24-7-2-8-25-21/h2-11H,1H3,(H,26,28)