methyl 4-(6-nitrobenzotriazol-1-yl)-4-sulfanylidene-butanoate

Systemtic Name: methyl 4-(6-nitrobenzotriazol-1-yl)-4-sulfanylidene-butanoate Openeye Name: methyl 4-(6-nitrobenzotriazol-1-yl)-4-thioxo-butanoate CAS Name: 4-(6-nitro-1-benzotriazolyl)-4-sulfanylidenebutanoic acid methyl ester IUPAC Name: methyl 4-(6-nitrobenzotriazol-1-yl)-4-sulfanylidenebutanoate Traditional Name: 4-(6-nitrobenzotriazol-1-yl)-4-thioxo-butyric acid methyl ester Formula: C11H10N4O4S MolecularWeight: 294.2865

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCC(=S)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1

Isomeric SMILES

COC(=O)CCC(=S)N1C2=C(C=CC(=C2)[N+](=O)[O-])N=N1

InChI

InChI=1S/C11H10N4O4S/c1-19-11(16)5-4-10(20)14-9-6-7(15(17)18)2-3-8(9)12-13-14/h2-3,6H,4-5H2,1H3