2-(1,3-benzoxazol-2-yl)-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-5-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzoxazol-2-yl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(1,3-benzoxazol-2-yl)-5-[[(1-methyl-5-tetrazolyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzoxazol-2-yl)-5-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzoxazol-2-yl)-5-[[(1-methyltetrazol-5-yl)thio]methyl]-3-pyrazolin-3-one Formula: C13H11N7O2S MolecularWeight: 329.33714

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCC2=CC(=O)N(N2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CN1C(=NN=N1)SCC2=CC(=O)N(N2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C13H11N7O2S/c1-19-13(15-17-18-19)23-7-8-6-11(21)20(16-8)12-14-9-4-2-3-5-10(9)22-12/h2-6,16H,7H2,1H3