tert-butyl N-[(2S)-3-methyl-1-(6-nitrobenzotriazol-1-yl)-1-sulfanylidene-butan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-3-methyl-1-(6-nitrobenzotriazol-1-yl)-1-sulfanylidene-butan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-2-methyl-1-(6-nitrobenzotriazole-1-carbothioyl)propyl]carbamate CAS Name: N-[(2S)-3-methyl-1-(6-nitro-1-benzotriazolyl)-1-sulfanylidenebutan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-3-methyl-1-(6-nitrobenzotriazol-1-yl)-1-sulfanylidenebutan-2-yl]carbamate Traditional Name: N-[(1S)-2-methyl-1-(6-nitrobenzotriazole-1-carbothioyl)propyl]carbamic acid tert-butyl ester Formula: C16H21N5O4S MolecularWeight: 379.43404

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=S)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1)NC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)[C@@H](C(=S)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C16H21N5O4S/c1-9(2)13(17-15(22)25-16(3,4)5)14(26)20-12-8-10(21(23)24)6-7-11(12)18-19-20/h6-9,13H,1-5H3,(H,17,22)/t13-/m0/s1