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

Systemtic Name: 3-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C14H16N6OS MolecularWeight: 316.38144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C14H16N6OS/c1-14(2,3)12-15-13(18-17-12)22-8-20-11(21)9-6-4-5-7-10(9)16-19-20/h4-7H,8H2,1-3H3,(H,15,17,18)