6-(4-methoxyphenyl)-2-[2-(5-nitronaphthalen-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-[2-(5-nitronaphthalen-1-yl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-[2-(5-nitro-1-naphthyl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[[2-(5-nitro-1-naphthalenyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-[2-(5-nitronaphthalen-1-yl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(5-nitro-1-naphthyl)ethyl]thio]-6-(4-methoxyphenyl)nicotinonitrile Formula: C25H17N3O4S MolecularWeight: 455.48518

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)C3=CC=CC4=C3C=CC=C4[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=C(C=C2)C#N)SCC(=O)C3=CC=CC4=C3C=CC=C4[N+](=O)[O-]

InChI

InChI=1S/C25H17N3O4S/c1-32-18-11-8-16(9-12-18)22-13-10-17(14-26)25(27-22)33-15-24(29)21-6-2-5-20-19(21)4-3-7-23(20)28(30)31/h2-13H,15H2,1H3