(4E)-3-oxidanyl-4-[[(phenylmethyl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: (4E)-3-oxidanyl-4-[[(phenylmethyl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: (4E)-4-[(benzylamino)-sulfanyl-methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: (4E)-3-hydroxy-4-[mercapto-[(phenylmethyl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: (4E)-4-[(benzylamino)-sulfanylmethylidene]-3-hydroxycyclohexa-2,5-dien-1-one Traditional Name: (4E)-4-[(benzylamino)-mercapto-methylene]-3-hydroxy-cyclohexa-2,5-dien-1-one Formula: C14H13NO2S MolecularWeight: 259.32352

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C2C=CC(=O)C=C2O)S

Isomeric SMILES

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

InChI

InChI=1S/C14H13NO2S/c16-11-6-7-12(13(17)8-11)14(18)15-9-10-4-2-1-3-5-10/h1-8,15,17-18H,9H2/b14-12+