tert-butyl N-[(2S)-4-methyl-1-(6-nitrobenzotriazol-1-yl)-1-sulfanylidene-pentan-2-yl]carbamate

Systemtic Name: tert-butyl N-[(2S)-4-methyl-1-(6-nitrobenzotriazol-1-yl)-1-sulfanylidene-pentan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-3-methyl-1-(6-nitrobenzotriazole-1-carbothioyl)butyl]carbamate CAS Name: N-[(2S)-4-methyl-1-(6-nitro-1-benzotriazolyl)-1-sulfanylidenepentan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-4-methyl-1-(6-nitrobenzotriazol-1-yl)-1-sulfanylidenepentan-2-yl]carbamate Traditional Name: N-[(1S)-3-methyl-1-(6-nitrobenzotriazole-1-carbothioyl)butyl]carbamic acid tert-butyl ester Formula: C17H23N5O4S MolecularWeight: 393.46062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H23N5O4S/c1-10(2)8-13(18-16(23)26-17(3,4)5)15(27)21-14-9-11(22(24)25)6-7-12(14)19-20-21/h6-7,9-10,13H,8H2,1-5H3,(H,18,23)/t13-/m0/s1