(Z)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile

Systemtic Name: (Z)-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (Z)-2-benzoyl-3-(3-nitro-4-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile CAS Name: (Z)-2-benzoyl-3-[3-nitro-4-(2-pyrimidinylthio)phenyl]-2-propenenitrile IUPAC Name: (Z)-2-benzoyl-3-(3-nitro-4-pyrimidin-2-ylsulfanylphenyl)prop-2-enenitrile Traditional Name: (Z)-2-benzoyl-3-[3-nitro-4-(2-pyrimidylthio)phenyl]acrylonitrile Formula: C20H12N4O3S MolecularWeight: 388.39928

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1=CC=C(C=C1)C(=O)/C(=C\C2=CC(=C(C=C2)SC3=NC=CC=N3)[N+](=O)[O-])/C#N

InChI

InChI=1S/C20H12N4O3S/c21-13-16(19(25)15-5-2-1-3-6-15)11-14-7-8-18(17(12-14)24(26)27)28-20-22-9-4-10-23-20/h1-12H/b16-11-