(4E)-4-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-6-pyridin-4-yl-2-sulfanyl-1H-pyridine-3-carbonitrile

Systemtic Name: (4E)-4-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-6-pyridin-4-yl-2-sulfanyl-1H-pyridine-3-carbonitrile Openeye Name: (4E)-4-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-6-(4-pyridyl)-2-sulfanyl-1H-pyridine-3-carbonitrile CAS Name: (4E)-4-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-2-mercapto-6-pyridin-4-yl-1H-pyridine-3-carbonitrile IUPAC Name: (4E)-4-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-6-pyridin-4-yl-2-sulfanyl-1H-pyridine-3-carbonitrile Traditional Name: (4E)-4-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-2-mercapto-6-(4-pyridyl)-1H-pyridine-3-carbonitrile Formula: C17H11N3O2S MolecularWeight: 321.35314

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C2C=C(NC(=C2C#N)S)C3=CC=NC=C3)C(=CC1=O)O

Isomeric SMILES

C1=C/C(=C\2/C=C(NC(=C2C#N)S)C3=CC=NC=C3)/C(=CC1=O)O

InChI

InChI=1S/C17H11N3O2S/c18-9-14-13(12-2-1-11(21)7-16(12)22)8-15(20-17(14)23)10-3-5-19-6-4-10/h1-8,20,22-23H/b13-12+