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

Systemtic Name: 4-[[(phenylmethyl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(benzylamino)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[mercapto-[(phenylmethyl)amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(benzylamino)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(benzylamino)-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C14H13NOS MolecularWeight: 243.32412

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(=C2C=CC(=O)C=C2)S

Isomeric SMILES

C1=CC=C(C=C1)CNC(=C2C=CC(=O)C=C2)S

InChI

InChI=1S/C14H13NOS/c16-13-8-6-12(7-9-13)14(17)15-10-11-4-2-1-3-5-11/h1-9,15,17H,10H2