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

Systemtic Name: 1-(3-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-bromophenyl)-2-[(4-cyclohexyl-5-methyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H20BrN3OS MolecularWeight: 394.3292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC(=CC=C3)Br

Isomeric SMILES

CC1=NN=C(N1C2CCCCC2)SCC(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C17H20BrN3OS/c1-12-19-20-17(21(12)15-8-3-2-4-9-15)23-11-16(22)13-6-5-7-14(18)10-13/h5-7,10,15H,2-4,8-9,11H2,1H3