(E)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide

Systemtic Name: (E)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide Openeye Name: (E)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enamide CAS Name: (E)-2-cyano-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propenamide IUPAC Name: (E)-2-cyano-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enamide Traditional Name: (E)-2-cyano-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylamide Formula: C14H9N5O3S MolecularWeight: 327.31796

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SC2=C(C=C(C=C2)C=C(C#N)C(=O)N)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SC2=C(C=C(C=C2)/C=C(\C#N)/C(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C14H9N5O3S/c15-8-10(13(16)20)6-9-2-3-12(11(7-9)19(21)22)23-14-17-4-1-5-18-14/h1-7H,(H2,16,20)/b10-6+