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

Systemtic Name: 4-(2,5-dimethoxyphenyl)-2-(3-nitropyridin-2-yl)sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(2,5-dimethoxyphenyl)-2-[(3-nitro-2-pyridyl)sulfanyl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(2,5-dimethoxyphenyl)-2-[(3-nitro-2-pyridinyl)thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(2,5-dimethoxyphenyl)-2-(3-nitropyridin-2-yl)sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(2,5-dimethoxyphenyl)-2-[(3-nitro-2-pyridyl)thio]-6-phenyl-nicotinonitrile Formula: C25H18N4O4S MolecularWeight: 470.49982

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)C2=CC(=NC(=C2C#N)SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2=CC(=NC(=C2C#N)SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H18N4O4S/c1-32-17-10-11-23(33-2)19(13-17)18-14-21(16-7-4-3-5-8-16)28-24(20(18)15-26)34-25-22(29(30)31)9-6-12-27-25/h3-14H,1-2H3