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

Systemtic Name: 3-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1-tert-butyltetrazol-5-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C13H15N7OS MolecularWeight: 317.3695

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCN2C(=O)C3=CC=CC=C3N=N2

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCN2C(=O)C3=CC=CC=C3N=N2

InChI

InChI=1S/C13H15N7OS/c1-13(2,3)20-12(15-16-18-20)22-8-19-11(21)9-6-4-5-7-10(9)14-17-19/h4-7H,8H2,1-3H3