3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C12H12N6OS MolecularWeight: 288.32828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC1=NN=C(N1C)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C12H12N6OS/c1-8-13-15-12(17(8)2)20-7-18-11(19)9-5-3-4-6-10(9)14-16-18/h3-6H,7H2,1-2H3