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

Systemtic Name: 2-bromanyl-4-[[(4-chlorophenyl)methylamino]-sulfanyl-methylidene]-6-methoxy-cyclohexa-2,5-dien-1-one Openeye Name: 2-bromo-4-[[(4-chlorophenyl)methylamino]-sulfanyl-methylene]-6-methoxy-cyclohexa-2,5-dien-1-one CAS Name: 2-bromo-4-[[(4-chlorophenyl)methylamino]-mercaptomethylidene]-6-methoxy-1-cyclohexa-2,5-dienone IUPAC Name: 2-bromo-4-[[(4-chlorophenyl)methylamino]-sulfanylmethylidene]-6-methoxycyclohexa-2,5-dien-1-one Traditional Name: 2-bromo-4-[[(4-chlorobenzyl)amino]-mercapto-methylene]-6-methoxy-cyclohexa-2,5-dien-1-one Formula: C15H13BrClNO2S MolecularWeight: 386.69122

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrClNO2S/c1-20-13-7-10(6-12(16)14(13)19)15(21)18-8-9-2-4-11(17)5-3-9/h2-7,18,21H,8H2,1H3