1-(4-bromophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(4-bromophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-bromophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-bromophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-bromophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-bromophenyl)-2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H14BrN3OS MolecularWeight: 388.28156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C17H14BrN3OS/c1-12-19-20-17(21(12)15-5-3-2-4-6-15)23-11-16(22)13-7-9-14(18)10-8-13/h2-10H,11H2,1H3