2-azanyl-4-(4-butoxyphenyl)-6-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-butoxyphenyl)-6-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-butoxyphenyl)-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-butoxyphenyl)-6-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-butoxyphenyl)-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-4-(4-butoxyphenyl)-6-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]dinicotinonitrile Formula: C28H22N4O4S MolecularWeight: 510.56368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC4=CC=CC=C4OC3=O)N)C#N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC4=CC=CC=C4OC3=O)N)C#N

InChI

InChI=1S/C28H22N4O4S/c1-2-3-12-35-19-10-8-17(9-11-19)25-21(14-29)26(31)32-27(22(25)15-30)37-16-23(33)20-13-18-6-4-5-7-24(18)36-28(20)34/h4-11,13H,2-3,12,16H2,1H3,(H2,31,32)