2-(3-nitropyridin-2-yl)sulfanyl-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile

Systemtic Name: 2-(3-nitropyridin-2-yl)sulfanyl-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile Openeye Name: 2-[(3-nitro-2-pyridyl)sulfanyl]-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile CAS Name: 2-[(3-nitro-2-pyridinyl)thio]-6-phenyl-4-(3,4,5-trimethoxyphenyl)-3-pyridinecarbonitrile IUPAC Name: 2-(3-nitropyridin-2-yl)sulfanyl-6-phenyl-4-(3,4,5-trimethoxyphenyl)pyridine-3-carbonitrile Traditional Name: 2-[(3-nitro-2-pyridyl)thio]-6-phenyl-4-(3,4,5-trimethoxyphenyl)nicotinonitrile Formula: C26H20N4O5S MolecularWeight: 500.5258

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=CC(=NC(=C2C#N)SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C26H20N4O5S/c1-33-22-12-17(13-23(34-2)24(22)35-3)18-14-20(16-8-5-4-6-9-16)29-25(19(18)15-27)36-26-21(30(31)32)10-7-11-28-26/h4-14H,1-3H3