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

Systemtic Name: 1-(azepan-1-yl)-2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(azepan-1-yl)-2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(1-azepanyl)-2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(azepan-1-yl)-2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(azepan-1-yl)-2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H23N7OS MolecularWeight: 385.48652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCCCC2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCCCC2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H23N7OS/c1-23-16(12-25-15-9-5-4-8-14(15)19-22-25)20-21-18(23)27-13-17(26)24-10-6-2-3-7-11-24/h4-5,8-9H,2-3,6-7,10-13H2,1H3