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

Systemtic Name: 1,5-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-pyrazol-3-one Openeye Name: 1,5-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-pyrazol-3-one CAS Name: 1,5-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-3-pyrazolone IUPAC Name: 1,5-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenylpyrazol-3-one Traditional Name: 1,5-dimethyl-4-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-3-pyrazolin-3-one Formula: C14H15N5OS MolecularWeight: 301.3668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC3=NNC(=N3)C

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)SC3=NNC(=N3)C

InChI

InChI=1S/C14H15N5OS/c1-9-12(21-14-15-10(2)16-17-14)13(20)19(18(9)3)11-7-5-4-6-8-11/h4-8H,1-3H3,(H,15,16,17)