4,6-bis(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile

Systemtic Name: 4,6-bis(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile Openeye Name: 4,6-bis(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile CAS Name: 4,6-bis(4-methoxyphenyl)-2-[(4-nitrophenyl)methylthio]-3-pyridinecarbonitrile IUPAC Name: 4,6-bis(4-methoxyphenyl)-2-[(4-nitrophenyl)methylsulfanyl]pyridine-3-carbonitrile Traditional Name: 4,6-bis(4-methoxyphenyl)-2-[(4-nitrobenzyl)thio]nicotinonitrile Formula: C27H21N3O4S MolecularWeight: 483.53834

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H21N3O4S/c1-33-22-11-5-19(6-12-22)24-15-26(20-7-13-23(34-2)14-8-20)29-27(25(24)16-28)35-17-18-3-9-21(10-4-18)30(31)32/h3-15H,17H2,1-2H3