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

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-(3-bromo-4-methoxy-phenyl)ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[(5-methyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-methyl-1,2,4-triazol-3-yl)thio]-1-(3-bromo-4-methoxy-phenyl)ethanone Formula: C15H16BrN3O2S MolecularWeight: 382.27544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1CC=C)SCC(=O)C2=CC(=C(C=C2)OC)Br

Isomeric SMILES

CC1=NN=C(N1CC=C)SCC(=O)C2=CC(=C(C=C2)OC)Br

InChI

InChI=1S/C15H16BrN3O2S/c1-4-7-19-10(2)17-18-15(19)22-9-13(20)11-5-6-14(21-3)12(16)8-11/h4-6,8H,1,7,9H2,2-3H3