1-(azepan-1-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2SCC(=O)N3CCCCCC3

InChI

InChI=1S/C17H22N4OS/c1-14-8-4-5-9-15(14)21-13-18-19-17(21)23-12-16(22)20-10-6-2-3-7-11-20/h4-5,8-9,13H,2-3,6-7,10-12H2,1H3