(4S)-5-methyl-2-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-4H-pyrazol-3-one

Systemtic Name: (4S)-5-methyl-2-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-4H-pyrazol-3-one Openeye Name: (4S)-5-methyl-2-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-4H-pyrazol-3-one CAS Name: (4S)-5-methyl-2-phenyl-4-(1H-1,2,4-triazol-5-ylthio)-4H-pyrazol-3-one IUPAC Name: (4S)-5-methyl-2-phenyl-4-(1H-1,2,4-triazol-5-ylsulfanyl)-4H-pyrazol-3-one Traditional Name: (4S)-5-methyl-2-phenyl-4-(1H-1,2,4-triazol-5-ylthio)-2-pyrazolin-3-one Formula: C12H11N5OS MolecularWeight: 273.31364

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=O)C1SC2=NC=NN2)C3=CC=CC=C3

Isomeric SMILES

CC1=NN(C(=O)[C@H]1SC2=NC=NN2)C3=CC=CC=C3

InChI

InChI=1S/C12H11N5OS/c1-8-10(19-12-13-7-14-15-12)11(18)17(16-8)9-5-3-2-4-6-9/h2-7,10H,1H3,(H,13,14,15)/t10-/m0/s1