4-(4-methoxy-3-methyl-phenyl)-2-(3-nitropyridin-2-yl)sulfanyl-6-phenyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-methoxy-3-methyl-phenyl)-2-(3-nitropyridin-2-yl)sulfanyl-6-phenyl-pyridine-3-carbonitrile Openeye Name: 4-(4-methoxy-3-methyl-phenyl)-2-[(3-nitro-2-pyridyl)sulfanyl]-6-phenyl-pyridine-3-carbonitrile CAS Name: 4-(4-methoxy-3-methylphenyl)-2-[(3-nitro-2-pyridinyl)thio]-6-phenyl-3-pyridinecarbonitrile IUPAC Name: 4-(4-methoxy-3-methylphenyl)-2-(3-nitropyridin-2-yl)sulfanyl-6-phenylpyridine-3-carbonitrile Traditional Name: 4-(4-methoxy-3-methyl-phenyl)-2-[(3-nitro-2-pyridyl)thio]-6-phenyl-nicotinonitrile Formula: C25H18N4O3S MolecularWeight: 454.50042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=CC=C4)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC(=NC(=C2C#N)SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=CC=C4)OC

InChI

InChI=1S/C25H18N4O3S/c1-16-13-18(10-11-23(16)32-2)19-14-21(17-7-4-3-5-8-17)28-24(20(19)15-26)33-25-22(29(30)31)9-6-12-27-25/h3-14H,1-2H3