4-(4-methylphenyl)-6-naphthalen-1-yl-2-(3-nitropyridin-2-yl)sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 4-(4-methylphenyl)-6-naphthalen-1-yl-2-(3-nitropyridin-2-yl)sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(1-naphthyl)-2-[(3-nitro-2-pyridyl)sulfanyl]-4-(p-tolyl)pyridine-3-carbonitrile CAS Name: 4-(4-methylphenyl)-6-(1-naphthalenyl)-2-[(3-nitro-2-pyridinyl)thio]-3-pyridinecarbonitrile IUPAC Name: 4-(4-methylphenyl)-6-naphthalen-1-yl-2-(3-nitropyridin-2-yl)sulfanylpyridine-3-carbonitrile Traditional Name: 6-(1-naphthyl)-2-[(3-nitro-2-pyridyl)thio]-4-(p-tolyl)nicotinonitrile Formula: C28H18N4O2S MolecularWeight: 474.53312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=CC5=CC=CC=C54

Isomeric SMILES

CC1=CC=C(C=C1)C2=CC(=NC(=C2C#N)SC3=C(C=CC=N3)[N+](=O)[O-])C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C28H18N4O2S/c1-18-11-13-20(14-12-18)23-16-25(22-9-4-7-19-6-2-3-8-21(19)22)31-27(24(23)17-29)35-28-26(32(33)34)10-5-15-30-28/h2-16H,1H3