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

Systemtic Name: 4-(5-butylsulfanyl-1,2,3,4-tetrazol-1-yl)-1,5-dimethyl-2-phenyl-pyrazol-3-one Openeye Name: 4-(5-butylsulfanyltetrazol-1-yl)-1,5-dimethyl-2-phenyl-pyrazol-3-one CAS Name: 4-[5-(butylthio)-1-tetrazolyl]-1,5-dimethyl-2-phenyl-3-pyrazolone IUPAC Name: 4-(5-butylsulfanyltetrazol-1-yl)-1,5-dimethyl-2-phenylpyrazol-3-one Traditional Name: 4-[5-(butylthio)tetrazol-1-yl]-1,5-dimethyl-2-phenyl-3-pyrazolin-3-one Formula: C16H20N6OS MolecularWeight: 344.4346

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NN=NN1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCCCSC1=NN=NN1C2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C16H20N6OS/c1-4-5-11-24-16-17-18-19-21(16)14-12(2)20(3)22(15(14)23)13-9-7-6-8-10-13/h6-10H,4-5,11H2,1-3H3