[(1R)-2-(6-nitrobenzotriazol-1-yl)-1-phenyl-2-sulfanylidene-ethyl] ethanoate

Systemtic Name: [(1R)-2-(6-nitrobenzotriazol-1-yl)-1-phenyl-2-sulfanylidene-ethyl] ethanoate Openeye Name: [(1R)-2-(6-nitrobenzotriazol-1-yl)-1-phenyl-2-thioxo-ethyl] acetate CAS Name: acetic acid [(1R)-2-(6-nitro-1-benzotriazolyl)-1-phenyl-2-sulfanylideneethyl] ester IUPAC Name: [(1R)-2-(6-nitrobenzotriazol-1-yl)-1-phenyl-2-sulfanylideneethyl] acetate Traditional Name: acetic acid [(1R)-2-(6-nitrobenzotriazol-1-yl)-1-phenyl-2-thioxo-ethyl] ester Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)OC(C1=CC=CC=C1)C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

Isomeric SMILES

CC(=O)O[C@H](C1=CC=CC=C1)C(=S)N2C3=C(C=CC(=C3)[N+](=O)[O-])N=N2

InChI

InChI=1S/C16H12N4O4S/c1-10(21)24-15(11-5-3-2-4-6-11)16(25)19-14-9-12(20(22)23)7-8-13(14)17-18-19/h2-9,15H,1H3/t15-/m1/s1