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

Systemtic Name: (Z)-3-[2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-3-[2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-5-nitro-phenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (Z)-3-[2-[(4,6-diphenyl-2-pyrimidinyl)thio]-5-nitrophenyl]-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (Z)-3-[2-(4,6-diphenylpyrimidin-2-yl)sulfanyl-5-nitrophenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (Z)-3-[2-[(4,6-diphenylpyrimidin-2-yl)thio]-5-nitro-phenyl]-2-(3-nitrobenzoyl)acrylonitrile Formula: C32H19N5O5S MolecularWeight: 585.58876

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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)[N+](=O)[O-])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)[N+](=O)[O-])/C=C(/C#N)\C(=O)C4=CC(=CC=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C32H19N5O5S/c33-20-25(31(38)23-12-7-13-26(17-23)36(39)40)16-24-18-27(37(41)42)14-15-30(24)43-32-34-28(21-8-3-1-4-9-21)19-29(35-32)22-10-5-2-6-11-22/h1-19H/b25-16-