6-(4-methoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile

Systemtic Name: 6-(4-methoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-pyridine-3-carbonitrile Openeye Name: 6-(4-methoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-pyridine-3-carbonitrile CAS Name: 6-(4-methoxyphenyl)-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-3-pyridinecarbonitrile IUPAC Name: 6-(4-methoxyphenyl)-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanylpyridine-3-carbonitrile Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-6-(4-methoxyphenyl)nicotinonitrile Formula: C21H15N3O4S MolecularWeight: 405.4265

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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=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C21H15N3O4S/c1-28-18-9-4-14(5-10-18)19-11-6-16(12-22)21(23-19)29-13-20(25)15-2-7-17(8-3-15)24(26)27/h2-11H,13H2,1H3