(Z)-3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (Z)-3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (Z)-3-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]-5-nitrophenyl]-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (Z)-3-[2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-5-nitrophenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (Z)-3-[2-[(4,6-dimethylpyrimidin-2-yl)thio]-5-nitro-phenyl]-2-(3-nitrobenzoyl)acrylonitrile Formula: C22H15N5O5S MolecularWeight: 461.45

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])C=C(C#N)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)SC2=C(C=C(C=C2)[N+](=O)[O-])/C=C(/C#N)\C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C

InChI

InChI=1S/C22H15N5O5S/c1-13-8-14(2)25-22(24-13)33-20-7-6-19(27(31)32)11-16(20)9-17(12-23)21(28)15-4-3-5-18(10-15)26(29)30/h3-11H,1-2H3/b17-9-