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

Systemtic Name: (Z)-3-[4-(4,6-diphenylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]-2-(phenylcarbonyl)prop-2-enenitrile Openeye Name: (Z)-2-benzoyl-3-[4-(4,6-diphenylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]prop-2-enenitrile CAS Name: (Z)-2-benzoyl-3-[4-[(4,6-diphenyl-2-pyrimidinyl)thio]-3-nitrophenyl]-2-propenenitrile IUPAC Name: (Z)-2-benzoyl-3-[4-(4,6-diphenylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]prop-2-enenitrile Traditional Name: (Z)-2-benzoyl-3-[4-[(4,6-diphenylpyrimidin-2-yl)thio]-3-nitro-phenyl]acrylonitrile Formula: C32H20N4O3S MolecularWeight: 540.5912

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)SC3=C(C=C(C=C3)C=C(C#N)C(=O)C4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)SC3=C(C=C(C=C3)/C=C(/C#N)\C(=O)C4=CC=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C32H20N4O3S/c33-21-26(31(37)25-14-8-3-9-15-25)18-22-16-17-30(29(19-22)36(38)39)40-32-34-27(23-10-4-1-5-11-23)20-28(35-32)24-12-6-2-7-13-24/h1-20H/b26-18-