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

Systemtic Name: 1-(azepan-1-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[4-methyl-5-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[4-methyl-5-(p-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=C(C=C1)C2=NN=C(N2C)SCC(=O)N3CCCCCC3

Isomeric SMILES

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

InChI

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