4-(3-ethoxy-4-phenylmethoxy-phenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(3-ethoxy-4-phenylmethoxy-phenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-benzyloxy-3-ethoxy-phenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-nitrophenyl)methylthio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(3-ethoxy-4-phenylmethoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(4-benzoxy-3-ethoxy-phenyl)-2-[(4-nitrobenzyl)thio]-6-phenyl-nicotinonitrile Formula: C34H27N3O4S MolecularWeight: 573.66088

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SCC3=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)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)OCC5=CC=CC=C5

InChI

InChI=1S/C34H27N3O4S/c1-2-40-33-19-27(15-18-32(33)41-22-24-9-5-3-6-10-24)29-20-31(26-11-7-4-8-12-26)36-34(30(29)21-35)42-23-25-13-16-28(17-14-25)37(38)39/h3-20H,2,22-23H2,1H3