(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]ethanoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]ethanoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-(p-tolylmethylsulfanyl)acetate CAS Name: 2-[(4-methylphenyl)methylthio]acetic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-methylphenyl)methylsulfanyl]acetate Traditional Name: 2-[(4-methylbenzyl)thio]acetic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C18H17N3O3S MolecularWeight: 355.41088

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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