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

Systemtic Name: 2-(1H-benzimidazol-2-yl)-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(1H-benzimidazol-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(1H-benzimidazol-2-yl)-5-[[(1-phenyl-5-tetrazolyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(1H-benzimidazol-2-yl)-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(1H-benzimidazol-2-yl)-5-[[(1-phenyltetrazol-5-yl)thio]methyl]-3-pyrazolin-3-one Formula: C18H14N8OS MolecularWeight: 390.42176

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)N(N3)C4=NC5=CC=CC=C5N4

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC(=O)N(N3)C4=NC5=CC=CC=C5N4

InChI

InChI=1S/C18H14N8OS/c27-16-10-12(22-26(16)17-19-14-8-4-5-9-15(14)20-17)11-28-18-21-23-24-25(18)13-6-2-1-3-7-13/h1-10,22H,11H2,(H,19,20)