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

Systemtic Name: 1-(4-bromophenyl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone CAS Name: 1-(4-bromophenyl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 2-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]-1-(4-bromophenyl)ethanone Formula: C15H16BrN3OS MolecularWeight: 366.27604

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCC(=O)C2=CC=C(C=C2)Br

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCC(=O)C2=CC=C(C=C2)Br

InChI

InChI=1S/C15H16BrN3OS/c1-3-9-19-14(4-2)17-18-15(19)21-10-13(20)11-5-7-12(16)8-6-11/h3,5-8H,1,4,9-10H2,2H3