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

Systemtic Name: 4-butyl-3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-acetyl-2-methoxyphenyl)methylthio]-4-butyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-butyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-acetyl-2-methoxy-benzyl)thio]-4-butyl-1H-1,2,4-triazol-5-one Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=C(C=CC(=C2)C(=O)C)OC

InChI

InChI=1S/C16H21N3O3S/c1-4-5-8-19-15(21)17-18-16(19)23-10-13-9-12(11(2)20)6-7-14(13)22-3/h6-7,9H,4-5,8,10H2,1-3H3,(H,17,21)