tert-butyl 2-benzo[h][1,2,4]benzotriazin-3-ylsulfanylethanoate

Systemtic Name: tert-butyl 2-benzo[h][1,2,4]benzotriazin-3-ylsulfanylethanoate Openeye Name: tert-butyl 2-benzo[h][1,2,4]benzotriazin-3-ylsulfanylacetate CAS Name: 2-(3-benzo[h][1,2,4]benzotriazinylthio)acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-benzo[h][1,2,4]benzotriazin-3-ylsulfanylacetate Traditional Name: 2-(benzo[h][1,2,4]benzotriazin-3-ylthio)acetic acid tert-butyl ester Formula: C17H17N3O2S MolecularWeight: 327.40078

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CSC1=NC2=C(C3=CC=CC=C3C=C2)N=N1

Isomeric SMILES

CC(C)(C)OC(=O)CSC1=NC2=C(C3=CC=CC=C3C=C2)N=N1

InChI

InChI=1S/C17H17N3O2S/c1-17(2,3)22-14(21)10-23-16-18-13-9-8-11-6-4-5-7-12(11)15(13)19-20-16/h4-9H,10H2,1-3H3