1-[(1S)-3,3-diethoxy-1-phenylsulfanyl-1-propan-2-ylsulfanyl-propyl]benzotriazole

Systemtic Name: 1-[(1S)-3,3-diethoxy-1-phenylsulfanyl-1-propan-2-ylsulfanyl-propyl]benzotriazole Openeye Name: 1-[(1S)-3,3-diethoxy-1-isopropylsulfanyl-1-phenylsulfanyl-propyl]benzotriazole CAS Name: 1-[(1S)-3,3-diethoxy-1-(phenylthio)-1-(propan-2-ylthio)propyl]benzotriazole IUPAC Name: 1-[(1S)-3,3-diethoxy-1-phenylsulfanyl-1-propan-2-ylsulfanylpropyl]benzotriazole Traditional Name: 1-[(1S)-3,3-diethoxy-1-(isopropylthio)-1-(phenylthio)propyl]benzotriazole Formula: C22H29N3O2S2 MolecularWeight: 431.61456

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(CC(N1C2=CC=CC=C2N=N1)(SC3=CC=CC=C3)SC(C)C)OCC

Isomeric SMILES

CCOC(C[C@@](N1C2=CC=CC=C2N=N1)(SC3=CC=CC=C3)SC(C)C)OCC

InChI

InChI=1S/C22H29N3O2S2/c1-5-26-21(27-6-2)16-22(28-17(3)4,29-18-12-8-7-9-13-18)25-20-15-11-10-14-19(20)23-24-25/h7-15,17,21H,5-6,16H2,1-4H3/t22-/m0/s1