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

Systemtic Name: 2-bromanyl-6-methoxy-4-[[(phenylmethyl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(benzylamino)-sulfanyl-methylene]-2-bromo-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-bromo-4-[mercapto-[(phenylmethyl)amino]methylidene]-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(benzylamino)-sulfanylmethylidene]-2-bromo-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 4-[(benzylamino)-mercapto-methylene]-2-bromo-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C15H14BrNO2S MolecularWeight: 352.24616

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14BrNO2S/c1-19-13-8-11(7-12(16)14(13)18)15(20)17-9-10-5-3-2-4-6-10/h2-8,17,20H,9H2,1H3