methyl 2-[3-(benzotriazol-2-yl)-5-nitro-phenyl]sulfanylethanoate

Systemtic Name: methyl 2-[3-(benzotriazol-2-yl)-5-nitro-phenyl]sulfanylethanoate Openeye Name: methyl 2-[3-(benzotriazol-2-yl)-5-nitro-phenyl]sulfanylacetate CAS Name: 2-[[3-(2-benzotriazolyl)-5-nitrophenyl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[3-(benzotriazol-2-yl)-5-nitrophenyl]sulfanylacetate Traditional Name: 2-[[3-(benzotriazol-2-yl)-5-nitro-phenyl]thio]acetic acid methyl ester Formula: C15H12N4O4S MolecularWeight: 344.34518

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=CC(=CC(=C1)[N+](=O)[O-])N2N=C3C=CC=CC3=N2

Isomeric SMILES

COC(=O)CSC1=CC(=CC(=C1)[N+](=O)[O-])N2N=C3C=CC=CC3=N2

InChI

InChI=1S/C15H12N4O4S/c1-23-15(20)9-24-12-7-10(6-11(8-12)19(21)22)18-16-13-4-2-3-5-14(13)17-18/h2-8H,9H2,1H3