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

Systemtic Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[5-(1-benzotriazolylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[5-(benzotriazol-1-ylmethyl)-4-methyl-1,2,4-triazol-3-yl]thio]-1-pyrrolidino-ethanone Formula: C16H19N7OS MolecularWeight: 357.43336

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)N2CCCC2)CN3C4=CC=CC=C4N=N3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCC2)CN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C16H19N7OS/c1-21-14(10-23-13-7-3-2-6-12(13)17-20-23)18-19-16(21)25-11-15(24)22-8-4-5-9-22/h2-3,6-7H,4-5,8-11H2,1H3