4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-6-pyridin-4-yl-2-sulfanyl-1H-pyridine-3-carbonitrile

Systemtic Name: 4-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)-6-pyridin-4-yl-2-sulfanyl-1H-pyridine-3-carbonitrile Openeye Name: 4-(4-oxocyclohexa-2,5-dien-1-ylidene)-6-(4-pyridyl)-2-sulfanyl-1H-pyridine-3-carbonitrile CAS Name: 2-mercapto-4-(4-oxo-1-cyclohexa-2,5-dienylidene)-6-pyridin-4-yl-1H-pyridine-3-carbonitrile IUPAC Name: 4-(4-oxocyclohexa-2,5-dien-1-ylidene)-6-pyridin-4-yl-2-sulfanyl-1H-pyridine-3-carbonitrile Traditional Name: 4-(4-ketocyclohexa-2,5-dien-1-ylidene)-2-mercapto-6-(4-pyridyl)-1H-pyridine-3-carbonitrile Formula: C17H11N3OS MolecularWeight: 305.35374

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H11N3OS/c18-10-15-14(11-1-3-13(21)4-2-11)9-16(20-17(15)22)12-5-7-19-8-6-12/h1-9,20,22H