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

Systemtic Name: 3-[(5-ethanoyl-2-methoxy-phenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-acetyl-2-methoxy-phenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-acetyl-2-methoxyphenyl)methylthio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-acetyl-2-methoxyphenyl)methylsulfanyl]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-acetyl-2-methoxy-benzyl)thio]-4-(3-methoxypropyl)-1H-1,2,4-triazol-5-one Formula: C16H21N3O4S MolecularWeight: 351.42064

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NNC(=O)N2CCCOC

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NNC(=O)N2CCCOC

InChI

InChI=1S/C16H21N3O4S/c1-11(20)12-5-6-14(23-3)13(9-12)10-24-16-18-17-15(21)19(16)7-4-8-22-2/h5-6,9H,4,7-8,10H2,1-3H3,(H,17,21)