4-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzenecarbonitrile

Systemtic Name: 4-[[(E)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzenecarbonitrile Openeye Name: 4-[[(E)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]amino]benzonitrile CAS Name: 4-[[(E)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-mercaptomethyl]amino]benzonitrile IUPAC Name: 4-[[(E)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]amino]benzonitrile Traditional Name: 4-[[(E)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]amino]benzonitrile Formula: C14H10N2O2S MolecularWeight: 270.3064

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C#N)NC(=C2C=CC(=O)C=C2O)S

Isomeric SMILES

C1=CC(=CC=C1C#N)N/C(=C\2/C=CC(=O)C=C2O)/S

InChI

InChI=1S/C14H10N2O2S/c15-8-9-1-3-10(4-2-9)16-14(19)12-6-5-11(17)7-13(12)18/h1-7,16,18-19H/b14-12+