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

Systemtic Name: 2-phenyl-5-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one Openeye Name: 2-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one CAS Name: 2-phenyl-5-[[(1-phenyl-5-tetrazolyl)thio]methyl]-4H-pyrazol-3-one IUPAC Name: 2-phenyl-5-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-4H-pyrazol-3-one Traditional Name: 2-phenyl-5-[[(1-phenyltetrazol-5-yl)thio]methyl]-2-pyrazolin-3-one Formula: C17H14N6OS MolecularWeight: 350.39766

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NN(C1=O)C2=CC=CC=C2)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1C(=NN(C1=O)C2=CC=CC=C2)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H14N6OS/c24-16-11-13(19-22(16)14-7-3-1-4-8-14)12-25-17-18-20-21-23(17)15-9-5-2-6-10-15/h1-10H,11-12H2