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

Systemtic Name: 6-[3-[(3-bromanyl-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Openeye Name: 6-[3-[(3-bromo-4-methoxy-phenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one CAS Name: 6-[3-[(3-bromo-4-methoxyphenyl)methylthio]-4-phenyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,4-dienone IUPAC Name: 6-[3-[(3-bromo-4-methoxyphenyl)methylsulfanyl]-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Traditional Name: 6-[3-[(3-bromo-4-methoxy-benzyl)thio]-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,4-dien-1-one Formula: C22H18BrN3O2S MolecularWeight: 468.36622

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CSC2=NNC(=C3C=CC=CC3=O)N2C4=CC=CC=C4)Br

Isomeric SMILES

COC1=C(C=C(C=C1)CSC2=NNC(=C3C=CC=CC3=O)N2C4=CC=CC=C4)Br

InChI

InChI=1S/C22H18BrN3O2S/c1-28-20-12-11-15(13-18(20)23)14-29-22-25-24-21(17-9-5-6-10-19(17)27)26(22)16-7-3-2-4-8-16/h2-13,24H,14H2,1H3