1-[(R)-tert-butylsulfanyl-(4-nitrophenyl)methyl]benzotriazole

Systemtic Name: 1-[(R)-tert-butylsulfanyl-(4-nitrophenyl)methyl]benzotriazole Openeye Name: 1-[(R)-tert-butylsulfanyl-(4-nitrophenyl)methyl]benzotriazole CAS Name: 1-[(R)-(tert-butylthio)-(4-nitrophenyl)methyl]benzotriazole IUPAC Name: 1-[(R)-tert-butylsulfanyl-(4-nitrophenyl)methyl]benzotriazole Traditional Name: 1-[(R)-(tert-butylthio)-(4-nitrophenyl)methyl]benzotriazole Formula: C17H18N4O2S MolecularWeight: 342.41542

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SC(C1=CC=C(C=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)S[C@H](C1=CC=C(C=C1)[N+](=O)[O-])N2C3=CC=CC=C3N=N2

InChI

InChI=1S/C17H18N4O2S/c1-17(2,3)24-16(12-8-10-13(11-9-12)21(22)23)20-15-7-5-4-6-14(15)18-19-20/h4-11,16H,1-3H3/t16-/m1/s1