6-[[[2,6-bis(phenylsulfanyl)pyridin-3-yl]amino]methylidene]-4-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[[[2,6-bis(phenylsulfanyl)pyridin-3-yl]amino]methylidene]-4-bromanyl-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: 6-[[[2,6-bis(phenylsulfanyl)-3-pyridyl]amino]methylene]-4-bromo-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: 6-[[[2,6-bis(phenylthio)-3-pyridinyl]amino]methylidene]-4-bromo-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: 6-[[[2,6-bis(phenylsulfanyl)pyridin-3-yl]amino]methylidene]-4-bromo-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: 6-[[[2,6-bis(phenylthio)-3-pyridyl]amino]methylene]-4-bromo-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C25H19BrN2O2S2 MolecularWeight: 523.46456

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=CNC2=C(N=C(C=C2)SC3=CC=CC=C3)SC4=CC=CC=C4)C1=O)Br

Isomeric SMILES

COC1=CC(=CC(=CNC2=C(N=C(C=C2)SC3=CC=CC=C3)SC4=CC=CC=C4)C1=O)Br

InChI

InChI=1S/C25H19BrN2O2S2/c1-30-22-15-18(26)14-17(24(22)29)16-27-21-12-13-23(31-19-8-4-2-5-9-19)28-25(21)32-20-10-6-3-7-11-20/h2-16,27H,1H3