2-azanyl-6-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridine-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[2-(4-butylphenyl)-2-oxidanylidene-ethyl]sulfanyl-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridine-3,5-dicarbonitrile Openeye Name: 2-amino-6-[2-(4-butylphenyl)-2-oxo-ethyl]sulfanyl-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridine-3,5-dicarbonitrile CAS Name: 2-amino-6-[[2-(4-butylphenyl)-2-oxoethyl]thio]-4-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridine-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[2-(4-butylphenyl)-2-oxoethyl]sulfanyl-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridine-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[2-(4-butylphenyl)-2-keto-ethyl]thio]-4-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyridine-3,5-dicarbonitrile Formula: C25H22N4O2S MolecularWeight: 442.53278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(=C3C=CC(=O)C=C3)C(=C(N2)N)C#N)C#N

Isomeric SMILES

CCCCC1=CC=C(C=C1)C(=O)CSC2=C(C(=C3C=CC(=O)C=C3)C(=C(N2)N)C#N)C#N

InChI

InChI=1S/C25H22N4O2S/c1-2-3-4-16-5-7-17(8-6-16)22(31)15-32-25-21(14-27)23(20(13-26)24(28)29-25)18-9-11-19(30)12-10-18/h5-12,29H,2-4,15,28H2,1H3