1-[4-[4-(2-azanylpropan-2-yl)-1,2,3-triazol-1-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone

Systemtic Name: 1-[4-[4-(2-azanylpropan-2-yl)-1,2,3-triazol-1-yl]piperidin-1-yl]-2-phenylsulfanyl-ethanone Openeye Name: 1-[4-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]-1-piperidyl]-2-phenylsulfanyl-ethanone CAS Name: 1-[4-[4-(2-aminopropan-2-yl)-1-triazolyl]-1-piperidinyl]-2-(phenylthio)ethanone IUPAC Name: 1-[4-[4-(2-aminopropan-2-yl)triazol-1-yl]piperidin-1-yl]-2-phenylsulfanylethanone Traditional Name: 1-[4-[4-(1-amino-1-methyl-ethyl)triazol-1-yl]piperidino]-2-(phenylthio)ethanone Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C1=CN(N=N1)C2CCN(CC2)C(=O)CSC3=CC=CC=C3)N

Isomeric SMILES

CC(C)(C1=CN(N=N1)C2CCN(CC2)C(=O)CSC3=CC=CC=C3)N

InChI

InChI=1S/C18H25N5OS/c1-18(2,19)16-12-23(21-20-16)14-8-10-22(11-9-14)17(24)13-25-15-6-4-3-5-7-15/h3-7,12,14H,8-11,13,19H2,1-2H3