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

Systemtic Name: 4-(3-methoxypropyl)-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-(3-methoxypropyl)-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(3-methoxypropyl)-3-[[4-(methylthio)phenyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(3-methoxypropyl)-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-(3-methoxypropyl)-3-[[4-(methylthio)benzyl]thio]-1H-1,2,4-triazol-5-one Formula: C14H19N3O2S2 MolecularWeight: 325.44956

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)SC

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)SC

InChI

InChI=1S/C14H19N3O2S2/c1-19-9-3-8-17-13(18)15-16-14(17)21-10-11-4-6-12(20-2)7-5-11/h4-7H,3,8-10H2,1-2H3,(H,15,18)