4-butyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one

Systemtic Name: 4-butyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[4-(1-pyrazolyl)phenyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(4-pyrazol-1-ylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(4-pyrazol-1-ylbenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C16H19N5OS MolecularWeight: 329.41996

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)N3C=CC=N3

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)N3C=CC=N3

InChI

InChI=1S/C16H19N5OS/c1-2-3-10-20-15(22)18-19-16(20)23-12-13-5-7-14(8-6-13)21-11-4-9-17-21/h4-9,11H,2-3,10,12H2,1H3,(H,18,22)