4-[5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-[(3-bromo-4-methoxyphenyl)methylthio]-1,2-dihydro-1,2,4-triazol-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-[(3-bromo-4-methoxy-benzyl)thio]-1,2-dihydro-1,2,4-triazol-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C16H14BrN3O2S MolecularWeight: 392.27026

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NC(=C3C=CC(=O)C=C3)NN2)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NC(=C3C=CC(=O)C=C3)NN2)Br

InChI

InChI=1S/C16H14BrN3O2S/c1-22-14-7-2-10(8-13(14)17)9-23-16-18-15(19-20-16)11-3-5-12(21)6-4-11/h2-8,19H,9H2,1H3,(H,18,20)