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

Systemtic Name: 3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1-phenyltetrazol-5-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C15H11N7OS MolecularWeight: 337.35914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4N=N3

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCN3C(=O)C4=CC=CC=C4N=N3

InChI

InChI=1S/C15H11N7OS/c23-14-12-8-4-5-9-13(12)16-19-21(14)10-24-15-17-18-20-22(15)11-6-2-1-3-7-11/h1-9H,10H2