1-(3-bromanyl-4-methoxy-phenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromo-4-methoxy-phenyl)ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-phenyl-1,2,4-triazol-3-yl)thio]-1-(3-bromo-4-methoxy-phenyl)ethanone Formula: C20H18BrN3O2S MolecularWeight: 444.34482

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3)Br

InChI

InChI=1S/C20H18BrN3O2S/c1-3-11-24-19(14-7-5-4-6-8-14)22-23-20(24)27-13-17(25)15-9-10-18(26-2)16(21)12-15/h3-10,12H,1,11,13H2,2H3