ethyl 2-[(7-methyl-1,2,4-benzotriazin-4-ium-4-yl)sulfanyl]ethanoate

Systemtic Name: ethyl 2-[(7-methyl-1,2,4-benzotriazin-4-ium-4-yl)sulfanyl]ethanoate Openeye Name: ethyl 2-[(7-methyl-1,2,4-benzotriazin-4-ium-4-yl)sulfanyl]acetate CAS Name: 2-[(7-methyl-1,2,4-benzotriazin-4-ium-4-yl)thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[(7-methyl-1,2,4-benzotriazin-4-ium-4-yl)sulfanyl]acetate Traditional Name: 2-[(7-methyl-1,2,4-benzotriazin-4-ium-4-yl)thio]acetic acid ethyl ester Formula: C12H14N3O2S+ MolecularWeight: 264.32346

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CS[N+]1=C2C=CC(=CC2=NN=C1)C

Isomeric SMILES

CCOC(=O)CS[N+]1=C2C=CC(=CC2=NN=C1)C

InChI

InChI=1S/C12H14N3O2S/c1-3-17-12(16)7-18-15-8-13-14-10-6-9(2)4-5-11(10)15/h4-6,8H,3,7H2,1-2H3/q+1