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

Systemtic Name: (Z)-3-[4-(4,6-diphenylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (Z)-3-[4-(4,6-diphenylpyrimidin-2-yl)sulfanyl-3-nitro-phenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (Z)-3-[4-[(4,6-diphenyl-2-pyrimidinyl)thio]-3-nitrophenyl]-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (Z)-3-[4-(4,6-diphenylpyrimidin-2-yl)sulfanyl-3-nitrophenyl]-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (Z)-3-[4-[(4,6-diphenylpyrimidin-2-yl)thio]-3-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)C=C(C#N)C(=O)C4=CC(=CC=C4)[N+](=O)[O-])[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-])[N+](=O)[O-])C5=CC=CC=C5

InChI

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