(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-(2-oxidanylidenepropylsulfanyl)benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-acetonylsulfanylbenzoate CAS Name: 2-(2-oxopropylthio)benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(2-oxopropylsulfanyl)benzoate Traditional Name: 2-(acetonylthio)benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H15N3O4S MolecularWeight: 369.3944

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=CC=CC=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(=O)CSC1=CC=CC=C1C(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H15N3O4S/c1-12(22)10-26-16-9-5-3-7-14(16)18(24)25-11-21-17(23)13-6-2-4-8-15(13)19-20-21/h2-9H,10-11H2,1H3