3-[(1-phenylpyrazol-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[(1-phenylpyrazol-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(1-phenylpyrazol-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(1-phenyl-4-pyrazolyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(1-phenylpyrazol-4-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(1-phenylpyrazol-4-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CN(N=C2)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CN(N=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H17N5OS/c1-2-8-19-14(21)17-18-15(19)22-11-12-9-16-20(10-12)13-6-4-3-5-7-13/h3-7,9-10H,2,8,11H2,1H3,(H,17,21)