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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-methyl-4-(o-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N4OS/c1-14-9-5-6-10-16(14)22-15(2)19-20-18(22)24-13-17(23)21-11-7-3-4-8-12-21/h5-6,9-10H,3-4,7-8,11-13H2,1-2H3