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

Systemtic Name: tert-butyl N-[(2S)-1-(6-nitrobenzotriazol-1-yl)-1-sulfanylidene-propan-2-yl]carbamate Openeye Name: tert-butyl N-[(1S)-1-methyl-2-(6-nitrobenzotriazol-1-yl)-2-thioxo-ethyl]carbamate CAS Name: N-[(2S)-1-(6-nitro-1-benzotriazolyl)-1-sulfanylidenepropan-2-yl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[(2S)-1-(6-nitrobenzotriazol-1-yl)-1-sulfanylidenepropan-2-yl]carbamate Traditional Name: N-[(1S)-1-methyl-2-(6-nitrobenzotriazol-1-yl)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C14H17N5O4S MolecularWeight: 351.38088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N5O4S/c1-8(15-13(20)23-14(2,3)4)12(24)18-11-7-9(19(21)22)5-6-10(11)16-17-18/h5-8H,1-4H3,(H,15,20)/t8-/m0/s1