N-[(Z)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]pyridine-3-carbothioamide

Systemtic Name: N-[(Z)-(2-oxidanyl-4-oxidanylidene-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]pyridine-3-carbothioamide Openeye Name: N-[(Z)-(2-hydroxy-4-oxo-cyclohexa-2,5-dien-1-ylidene)-sulfanyl-methyl]pyridine-3-carbothioamide CAS Name: N-[(Z)-(2-hydroxy-4-oxo-1-cyclohexa-2,5-dienylidene)-mercaptomethyl]-3-pyridinecarbothioamide IUPAC Name: N-[(Z)-(2-hydroxy-4-oxocyclohexa-2,5-dien-1-ylidene)-sulfanylmethyl]pyridine-3-carbothioamide Traditional Name: N-[(Z)-(2-hydroxy-4-keto-cyclohexa-2,5-dien-1-ylidene)-mercapto-methyl]thionicotinamide Formula: C13H10N2O2S2 MolecularWeight: 290.3607

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(=S)NC(=C2C=CC(=O)C=C2O)S

Isomeric SMILES

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

InChI

InChI=1S/C13H10N2O2S2/c16-9-3-4-10(11(17)6-9)13(19)15-12(18)8-2-1-5-14-7-8/h1-7,17,19H,(H,15,18)/b13-10-