methyl 4-[[6-azanyl-3,5-dicyano-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]benzoate

Systemtic Name: methyl 4-[[6-azanyl-3,5-dicyano-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]benzoate Openeye Name: methyl 4-[[6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]benzoate CAS Name: 4-[[6-amino-3,5-dicyano-4-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-2-yl]thio]benzoic acid methyl ester IUPAC Name: methyl 4-[[6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]benzoate Traditional Name: 4-[[6-amino-3,5-dicyano-4-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]thio]benzoic acid methyl ester Formula: C21H14N4O3S MolecularWeight: 402.42586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)SC2=C(C(=C3C=CC(=O)C=C3)C(=C(N2)N)C#N)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)SC2=C(C(=C3C=CC(=O)C=C3)C(=C(N2)N)C#N)C#N

InChI

InChI=1S/C21H14N4O3S/c1-28-21(27)13-4-8-15(9-5-13)29-20-17(11-23)18(16(10-22)19(24)25-20)12-2-6-14(26)7-3-12/h2-9,25H,24H2,1H3