1,5-dimethyl-4-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)-2-phenyl-pyrazol-3-one

Systemtic Name: 1,5-dimethyl-4-(5-methylsulfanyl-1,2,3,4-tetrazol-1-yl)-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-(5-methylsulfanyltetrazol-1-yl)-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[5-(methylthio)-1-tetrazolyl]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-(5-methylsulfanyltetrazol-1-yl)-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[5-(methylthio)tetrazol-1-yl]-2-phenyl-3-pyrazolin-3-one Formula: C13H14N6OS MolecularWeight: 302.35486

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SC

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N3C(=NN=N3)SC

InChI

InChI=1S/C13H14N6OS/c1-9-11(18-13(21-3)14-15-16-18)12(20)19(17(9)2)10-7-5-4-6-8-10/h4-8H,1-3H3