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

Systemtic Name: ethyl 2-[[6-azanyl-3,5-dicyano-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[[6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]acetate CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-2-yl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[[6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]acetate Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]thio]acetic acid ethyl ester Formula: C17H14N4O3S MolecularWeight: 354.38306

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=C(C(=C2C=CC(=O)C=C2)C(=C(N1)N)C#N)C#N

Isomeric SMILES

CCOC(=O)CSC1=C(C(=C2C=CC(=O)C=C2)C(=C(N1)N)C#N)C#N

InChI

InChI=1S/C17H14N4O3S/c1-2-24-14(23)9-25-17-13(8-19)15(12(7-18)16(20)21-17)10-3-5-11(22)6-4-10/h3-6,21H,2,9,20H2,1H3