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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1CCN(CC1)C(=O)CSC2=NN=C(N2C)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H23N7OS/c1-13-7-9-24(10-8-13)17(26)12-27-18-21-20-16(23(18)2)11-25-15-6-4-3-5-14(15)19-22-25/h3-6,13H,7-12H2,1-2H3