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

Systemtic Name: 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,2,3-benzotriazin-4-one Formula: C13H14N6O2S MolecularWeight: 318.35426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

COCCN1C=NN=C1SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H14N6O2S/c1-21-7-6-18-8-14-16-13(18)22-9-19-12(20)10-4-2-3-5-11(10)15-17-19/h2-5,8H,6-7,9H2,1H3