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

Systemtic Name: (Z)-3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (Z)-2-benzoyl-3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile CAS Name: (Z)-2-benzoyl-3-[4-[(4,6-dimethyl-2-pyrimidinyl)thio]-3-nitrophenyl]-2-propenenitrile IUPAC Name: (Z)-2-benzoyl-3-[4-(4,6-dimethylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]prop-2-enenitrile Traditional Name: (Z)-2-benzoyl-3-[4-[(4,6-dimethylpyrimidin-2-yl)thio]-3-nitro-phenyl]acrylonitrile Formula: C22H16N4O3S MolecularWeight: 416.45244

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C22H16N4O3S/c1-14-10-15(2)25-22(24-14)30-20-9-8-16(12-19(20)26(28)29)11-18(13-23)21(27)17-6-4-3-5-7-17/h3-12H,1-2H3/b18-11-