(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: (4-oxidanylidene-1,2,3-benzotriazin-3-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(5-methylisoxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 2-[(5-methyl-3-isoxazolyl)methylthio]-3-pyridinecarboxylic acid (4-oxo-1,2,3-benzotriazin-3-yl)methyl ester IUPAC Name: (4-oxo-1,2,3-benzotriazin-3-yl)methyl 2-[(5-methyl-1,2-oxazol-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 2-[(5-methylisoxazol-3-yl)methylthio]nicotinic acid (4-keto-1,2,3-benzotriazin-3-yl)methyl ester Formula: C19H15N5O4S MolecularWeight: 409.4185

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC(=NO1)CSC2=C(C=CC=N2)C(=O)OCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C19H15N5O4S/c1-12-9-13(22-28-12)10-29-17-15(6-4-8-20-17)19(26)27-11-24-18(25)14-5-2-3-7-16(14)21-23-24/h2-9H,10-11H2,1H3