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

Systemtic Name: 1-(azepan-1-yl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)N3CCCCCC3

Isomeric SMILES

CC1=NN=C(N1C2=CC=C(C=C2)OC)SCC(=O)N3CCCCCC3

InChI

InChI=1S/C18H24N4O2S/c1-14-19-20-18(22(14)15-7-9-16(24-2)10-8-15)25-13-17(23)21-11-5-3-4-6-12-21/h7-10H,3-6,11-13H2,1-2H3