3-[[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide

Systemtic Name: 3-[[1-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2,3,4-tetrazol-5-yl]sulfanyl]propanamide Openeye Name: 3-[1-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)tetrazol-5-yl]sulfanylpropanamide CAS Name: 3-[[1-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-5-tetrazolyl]thio]propanamide IUPAC Name: 3-[1-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)tetrazol-5-yl]sulfanylpropanamide Traditional Name: 3-[[1-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)tetrazol-5-yl]thio]propionamide Formula: C15H17N7O2S MolecularWeight: 359.40618

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H17N7O2S/c1-10-13(21-15(17-18-19-21)25-9-8-12(16)23)14(24)22(20(10)2)11-6-4-3-5-7-11/h3-7H,8-9H2,1-2H3,(H2,16,23)