4-butyl-3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(5-chloranyl-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(5-chloro-3-methyl-1-phenyl-4-pyrazolyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(5-chloro-3-methyl-1-phenyl-pyrazol-4-yl)methylthio]-1H-1,2,4-triazol-5-one Formula: C17H20ClN5OS MolecularWeight: 377.8916

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=C(N(N=C2C)C3=CC=CC=C3)Cl

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=C(N(N=C2C)C3=CC=CC=C3)Cl

InChI

InChI=1S/C17H20ClN5OS/c1-3-4-10-22-16(24)19-20-17(22)25-11-14-12(2)21-23(15(14)18)13-8-6-5-7-9-13/h5-9H,3-4,10-11H2,1-2H3,(H,19,24)