4-(3-ethoxy-4-phenylmethoxy-phenyl)-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(3-ethoxy-4-phenylmethoxy-phenyl)-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-benzyloxy-3-ethoxy-phenyl)-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(3-ethoxy-4-phenylmethoxyphenyl)-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(3-ethoxy-4-phenylmethoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(4-benzoxy-3-ethoxy-phenyl)-2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-6-phenyl-nicotinonitrile Formula: C35H27N3O5S MolecularWeight: 601.67098

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)OCC5=CC=CC=C5

Isomeric SMILES

CCOC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C35H27N3O5S/c1-2-42-34-19-27(15-18-33(34)43-22-24-9-5-3-6-10-24)29-20-31(25-11-7-4-8-12-25)37-35(30(29)21-36)44-23-32(39)26-13-16-28(17-14-26)38(40)41/h3-20H,2,22-23H2,1H3