2-azanyl-4-(4-ethoxyphenyl)-6-[2-oxidanylidene-2-(7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethyl]sulfanyl-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-4-(4-ethoxyphenyl)-6-[2-oxidanylidene-2-(7-oxidanyl-2-oxidanylidene-chromen-3-yl)ethyl]sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-4-(4-ethoxyphenyl)-6-[2-(7-hydroxy-2-oxo-chromen-3-yl)-2-oxo-ethyl]sulfanyl-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-ethoxyphenyl)-6-[[2-(7-hydroxy-2-oxo-1-benzopyran-3-yl)-2-oxoethyl]thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-ethoxyphenyl)-6-[2-(7-hydroxy-2-oxochromen-3-yl)-2-oxoethyl]sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(7-hydroxy-2-keto-chromen-3-yl)-2-keto-ethyl]thio]-4-p-phenetyl-dinicotinonitrile Formula: C26H18N4O5S MolecularWeight: 498.50992

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC4=C(C=C(C=C4)O)OC3=O)N)C#N

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC4=C(C=C(C=C4)O)OC3=O)N)C#N

InChI

InChI=1S/C26H18N4O5S/c1-2-34-17-7-4-14(5-8-17)23-19(11-27)24(29)30-25(20(23)12-28)36-13-21(32)18-9-15-3-6-16(31)10-22(15)35-26(18)33/h3-10,31H,2,13H2,1H3,(H2,29,30)