(4R)-5-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-4H-pyrazol-3-one

Systemtic Name: (4R)-5-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-4H-pyrazol-3-one Openeye Name: (4R)-5-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-4H-pyrazol-3-one CAS Name: (4R)-5-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-4H-pyrazol-3-one IUPAC Name: (4R)-5-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-4H-pyrazol-3-one Traditional Name: (4R)-5-methyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-2-pyrazolin-3-one Formula: C13H13N5OS MolecularWeight: 287.34022

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1SC2=NNC(=N2)C)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)[C@@H]1SC2=NNC(=N2)C)C3=CC=CC=C3

InChI

InChI=1S/C13H13N5OS/c1-8-11(20-13-14-9(2)15-16-13)12(19)18(17-8)10-6-4-3-5-7-10/h3-7,11H,1-2H3,(H,14,15,16)/t11-/m1/s1