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

Systemtic Name: 4-butyl-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[[4-(methylthio)phenyl]methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(4-methylsulfanylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[[4-(methylthio)benzyl]thio]-1H-1,2,4-triazol-5-one Formula: C14H19N3OS2 MolecularWeight: 309.45016

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19N3OS2/c1-3-4-9-17-13(18)15-16-14(17)20-10-11-5-7-12(19-2)8-6-11/h5-8H,3-4,9-10H2,1-2H3,(H,15,18)