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

Systemtic Name: 3-[(5-chloranyl-2-methoxy-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(5-chloro-2-methoxy-phenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[(5-chloro-2-methoxyphenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(5-chloro-2-methoxyphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(5-chloro-2-methoxy-benzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H16ClN3O2S MolecularWeight: 313.80304

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClN3O2S/c1-3-6-17-12(18)15-16-13(17)20-8-9-7-10(14)4-5-11(9)19-2/h4-5,7H,3,6,8H2,1-2H3,(H,15,18)