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

Systemtic Name: 3-[(4-methylsulfanylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[(4-methylsulfanylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[4-(methylthio)phenyl]methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-methylsulfanylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[4-(methylthio)benzyl]thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H17N3OS2 MolecularWeight: 295.42358

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC2=CC=C(C=C2)SC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC2=CC=C(C=C2)SC

InChI

InChI=1S/C13H17N3OS2/c1-3-8-16-12(17)14-15-13(16)19-9-10-4-6-11(18-2)7-5-10/h4-7H,3,8-9H2,1-2H3,(H,14,17)