(Z)-2-(3-nitrophenyl)carbonyl-3-(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile

Systemtic Name: (Z)-2-(3-nitrophenyl)carbonyl-3-(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile Openeye Name: (Z)-2-(3-nitrobenzoyl)-3-(5-nitro-2-pyrimidin-2-ylsulfanyl-phenyl)prop-2-enenitrile CAS Name: (Z)-2-[(3-nitrophenyl)-oxomethyl]-3-[5-nitro-2-(2-pyrimidinylthio)phenyl]-2-propenenitrile IUPAC Name: (Z)-2-(3-nitrobenzoyl)-3-(5-nitro-2-pyrimidin-2-ylsulfanylphenyl)prop-2-enenitrile Traditional Name: (Z)-2-(3-nitrobenzoyl)-3-[5-nitro-2-(2-pyrimidylthio)phenyl]acrylonitrile Formula: C20H11N5O5S MolecularWeight: 433.39684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H11N5O5S/c21-12-15(19(26)13-3-1-4-16(10-13)24(27)28)9-14-11-17(25(29)30)5-6-18(14)31-20-22-7-2-8-23-20/h1-11H/b15-9-