(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(p-tolylsulfanyl)propanoate CAS Name: 3-[(4-methylphenyl)thio]propanoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 3-(4-methylphenyl)sulfanylpropanoate Traditional Name: 3-(p-tolylthio)propionic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=CC=C(C=C1)SCCC(=O)OCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C18H17N3O3S/c1-13-6-8-14(9-7-13)25-11-10-17(22)24-12-21-18(23)15-4-2-3-5-16(15)19-20-21/h2-9H,10-12H2,1H3