5-bromanyl-2-methoxy-4-[[(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 5-bromanyl-2-methoxy-4-[[(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 5-bromo-2-methoxy-4-[[(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)amino]methylene]cyclohexa-2,5-dien-1-one CAS Name: 5-bromo-2-methoxy-4-[[[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]amino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 5-bromo-2-methoxy-4-[[(3-methylsulfanyl-5-phenyl-1,2,4-triazol-4-yl)amino]methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 5-bromo-2-methoxy-4-[[[3-(methylthio)-5-phenyl-1,2,4-triazol-4-yl]amino]methylene]cyclohexa-2,5-dien-1-one Formula: C17H15BrN4O2S MolecularWeight: 419.2956

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CNN2C(=NN=C2SC)C3=CC=CC=C3)C(=CC1=O)Br

Isomeric SMILES

COC1=CC(=CNN2C(=NN=C2SC)C3=CC=CC=C3)C(=CC1=O)Br

InChI

InChI=1S/C17H15BrN4O2S/c1-24-15-8-12(13(18)9-14(15)23)10-19-22-16(20-21-17(22)25-2)11-6-4-3-5-7-11/h3-10,19H,1-2H3