2,6-dimethoxy-4-[[(phenylmethyl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 2,6-dimethoxy-4-[[(phenylmethyl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(benzylamino)-sulfanyl-methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[mercapto-[(phenylmethyl)amino]methylidene]-2,6-dimethoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(benzylamino)-sulfanylmethylidene]-2,6-dimethoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[(benzylamino)-mercapto-methylene]-2,6-dimethoxy-cyclohexa-2,5-dien-1-one Formula: C16H17NO3S MolecularWeight: 303.37608

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(NCC2=CC=CC=C2)S)C=C(C1=O)OC

Isomeric SMILES

COC1=CC(=C(NCC2=CC=CC=C2)S)C=C(C1=O)OC

InChI

InChI=1S/C16H17NO3S/c1-19-13-8-12(9-14(20-2)15(13)18)16(21)17-10-11-6-4-3-5-7-11/h3-9,17,21H,10H2,1-2H3