1-[(3S)-1,1-diethoxy-3-phenylsulfanyl-heptan-3-yl]benzotriazole

Systemtic Name: 1-[(3S)-1,1-diethoxy-3-phenylsulfanyl-heptan-3-yl]benzotriazole Openeye Name: 1-[(1S)-1-(2,2-diethoxyethyl)-1-phenylsulfanyl-pentyl]benzotriazole CAS Name: 1-[(3S)-1,1-diethoxy-3-(phenylthio)heptan-3-yl]benzotriazole IUPAC Name: 1-[(3S)-1,1-diethoxy-3-phenylsulfanylheptan-3-yl]benzotriazole Traditional Name: 1-[(1S)-1-(2,2-diethoxyethyl)-1-(phenylthio)pentyl]benzotriazole Formula: C23H31N3O2S MolecularWeight: 413.57614

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC(OCC)OCC)(N1C2=CC=CC=C2N=N1)SC3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C23H31N3O2S/c1-4-7-17-23(18-22(27-5-2)28-6-3,29-19-13-9-8-10-14-19)26-21-16-12-11-15-20(21)24-25-26/h8-16,22H,4-7,17-18H2,1-3H3/t23-/m0/s1