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

Systemtic Name: 3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(3-phenylisoxazol-5-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(3-phenyl-5-isoxazolyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(3-phenyl-1,2-oxazol-5-yl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(3-phenylisoxazol-5-yl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H16N4O2S MolecularWeight: 316.37814

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC(=NO2)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC(=NO2)C3=CC=CC=C3

InChI

InChI=1S/C15H16N4O2S/c1-2-8-19-14(20)16-17-15(19)22-10-12-9-13(18-21-12)11-6-4-3-5-7-11/h3-7,9H,2,8,10H2,1H3,(H,16,20)