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

Systemtic Name: 2-azanyl-4-(4-methylphenyl)-6-[2-oxidanylidene-2-(2-oxidanylidenechromen-3-yl)ethyl]sulfanyl-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanyl-4-(p-tolyl)pyridine-3,5-dicarbonitrile CAS Name: 2-amino-4-(4-methylphenyl)-6-[[2-oxo-2-(2-oxo-1-benzopyran-3-yl)ethyl]thio]pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-4-(4-methylphenyl)-6-[2-oxo-2-(2-oxochromen-3-yl)ethyl]sulfanylpyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-keto-2-(2-ketochromen-3-yl)ethyl]thio]-4-(p-tolyl)dinicotinonitrile Formula: C25H16N4O3S MolecularWeight: 452.48454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC4=CC=CC=C4OC3=O)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(C(=NC(=C2C#N)SCC(=O)C3=CC4=CC=CC=C4OC3=O)N)C#N

InChI

InChI=1S/C25H16N4O3S/c1-14-6-8-15(9-7-14)22-18(11-26)23(28)29-24(19(22)12-27)33-13-20(30)17-10-16-4-2-3-5-21(16)32-25(17)31/h2-10H,13H2,1H3,(H2,28,29)