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

Systemtic Name: 2-[[6-azanyl-3,5-dicyano-4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]acetic acid CAS Name: 2-[[6-amino-3,5-dicyano-4-(4-oxo-1-cyclohexa-2,5-dienylidene)-1H-pyridin-2-yl]thio]acetic acid IUPAC Name: 2-[[6-amino-3,5-dicyano-4-(4-oxocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]sulfanyl]acetic acid Traditional Name: 2-[[6-amino-3,5-dicyano-4-(4-ketocyclohexa-2,5-dien-1-ylidene)-1H-pyridin-2-yl]thio]acetic acid Formula: C15H10N4O3S MolecularWeight: 326.3299

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=C2C(=C(NC(=C2C#N)SCC(=O)O)N)C#N

Isomeric SMILES

C1=CC(=O)C=CC1=C2C(=C(NC(=C2C#N)SCC(=O)O)N)C#N

InChI

InChI=1S/C15H10N4O3S/c16-5-10-13(8-1-3-9(20)4-2-8)11(6-17)15(19-14(10)18)23-7-12(21)22/h1-4,19H,7,18H2,(H,21,22)