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

Systemtic Name: 3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-propyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C13H14N6OS MolecularWeight: 302.35486

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CCCC1=NC(=NN1)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H14N6OS/c1-2-5-11-14-13(17-16-11)21-8-19-12(20)9-6-3-4-7-10(9)15-18-19/h3-4,6-7H,2,5,8H2,1H3,(H,14,16,17)