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

Systemtic Name: 4-cyclopropyl-3-[(5-ethanoyl-2-ethoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-acetyl-2-ethoxy-phenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-acetyl-2-ethoxyphenyl)methylthio]-4-cyclopropyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-acetyl-2-ethoxyphenyl)methylsulfanyl]-4-cyclopropyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-acetyl-2-ethoxy-benzyl)thio]-4-cyclopropyl-1H-1,2,4-triazol-5-one Formula: C16H19N3O3S MolecularWeight: 333.40536

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NNC(=O)N2C3CC3

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CSC2=NNC(=O)N2C3CC3

InChI

InChI=1S/C16H19N3O3S/c1-3-22-14-7-4-11(10(2)20)8-12(14)9-23-16-18-17-15(21)19(16)13-5-6-13/h4,7-8,13H,3,5-6,9H2,1-2H3,(H,17,21)