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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN=C(N2C)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N4OS/c1-14-8-7-9-15(12-14)17-19-20-18(21(17)2)24-13-16(23)22-10-5-3-4-6-11-22/h7-9,12H,3-6,10-11,13H2,1-2H3