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

Systemtic Name: 3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-acetyl-2-methoxyphenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-acetyl-2-methoxy-benzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C15H19N3O3S/c1-4-7-18-14(20)16-17-15(18)22-9-12-8-11(10(2)19)5-6-13(12)21-3/h5-6,8H,4,7,9H2,1-3H3,(H,16,20)