1-(4-bromophenyl)-2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 2-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[[5-(methoxymethyl)-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 2-[[4-allyl-5-(methoxymethyl)-1,2,4-triazol-3-yl]thio]-1-(4-bromophenyl)ethanone Formula: C15H16BrN3O2S MolecularWeight: 382.27544

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Descriptors Computed from Structure

Canonical SMILES:

COCC1=NN=C(N1CC=C)SCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

COCC1=NN=C(N1CC=C)SCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H16BrN3O2S/c1-3-8-19-14(9-21-2)17-18-15(19)22-10-13(20)11-4-6-12(16)7-5-11/h3-7H,1,8-10H2,2H3