6-[3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one

Systemtic Name: 6-[3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[4-allyl-3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[3-[(3-bromo-4-methoxyphenyl)methylthio]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-prop-2-enyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[4-allyl-3-[(3-bromo-4-methoxy-benzyl)thio]-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C19H18BrN3O2S MolecularWeight: 432.33412

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NNC(=C3C=CC=CC3=O)N2CC=C)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NNC(=C3C=CC=CC3=O)N2CC=C)Br

InChI

InChI=1S/C19H18BrN3O2S/c1-3-10-23-18(14-6-4-5-7-16(14)24)21-22-19(23)26-12-13-8-9-17(25-2)15(20)11-13/h3-9,11,21H,1,10,12H2,2H3