(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-methylthiazol-2-yl)sulfanylmethyl]benzoate CAS Name: 2-[[(4-methyl-2-thiazolyl)thio]methyl]benzoic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(4-methyl-1,3-thiazol-2-yl)sulfanylmethyl]benzoate Traditional Name: 2-[[(4-methylthiazol-2-yl)thio]methyl]benzoic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C20H16N4O3S2 MolecularWeight: 424.49604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CSC(=N1)SCC2=CC=CC=C2C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C20H16N4O3S2/c1-13-10-28-20(21-13)29-11-14-6-2-3-7-15(14)19(26)27-12-24-18(25)16-8-4-5-9-17(16)22-23-24/h2-10H,11-12H2,1H3