ethyl 5-cyano-2-methyl-6-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-2-methyl-6-[(4-oxidanylidene-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-2-methyl-6-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyridine-3-carboxylate CAS Name: 5-cyano-2-methyl-6-[(4-oxo-1,2,3-benzotriazin-3-yl)methylthio]-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-2-methyl-6-[(4-oxo-1,2,3-benzotriazin-3-yl)methylsulfanyl]pyridine-3-carboxylate Traditional Name: 5-cyano-6-[(4-keto-1,2,3-benzotriazin-3-yl)methylthio]-2-methyl-nicotinic acid ethyl ester Formula: C18H15N5O3S MolecularWeight: 381.4084

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCN2C(=O)C3=CC=CC=C3N=N2)C

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCN2C(=O)C3=CC=CC=C3N=N2)C

InChI

InChI=1S/C18H15N5O3S/c1-3-26-18(25)14-8-12(9-19)16(20-11(14)2)27-10-23-17(24)13-6-4-5-7-15(13)21-22-23/h4-8H,3,10H2,1-2H3