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

Systemtic Name: tert-butyl N-[2-(6-nitrobenzotriazol-1-yl)-2-sulfanylidene-ethyl]carbamate Openeye Name: tert-butyl N-[2-(6-nitrobenzotriazol-1-yl)-2-thioxo-ethyl]carbamate CAS Name: N-[2-(6-nitro-1-benzotriazolyl)-2-sulfanylideneethyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[2-(6-nitrobenzotriazol-1-yl)-2-sulfanylideneethyl]carbamate Traditional Name: N-[2-(6-nitrobenzotriazol-1-yl)-2-thioxo-ethyl]carbamic acid tert-butyl ester Formula: C13H15N5O4S MolecularWeight: 337.3543

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N5O4S/c1-13(2,3)22-12(19)14-7-11(23)17-10-6-8(18(20)21)4-5-9(10)15-16-17/h4-6H,7H2,1-3H3,(H,14,19)