6-(4-methoxyphenyl)-4-(2-methylphenyl)-2-(3-nitropyridin-2-yl)sulfanyl-pyridine-3-carbonitrile

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=CC(=NC(=C2C#N)SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1C2=CC(=NC(=C2C#N)SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=C(C=C4)OC

InChI

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