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

Systemtic Name: 3-[(4-methylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Openeye Name: 4-propyl-3-(p-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 3-[(4-methylphenyl)methylthio]-4-propyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[(4-methylphenyl)methylsulfanyl]-4-propyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[(4-methylbenzyl)thio]-4-propyl-1H-1,2,4-triazol-5-one Formula: C13H17N3OS MolecularWeight: 263.35858

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17N3OS/c1-3-8-16-12(17)14-15-13(16)18-9-11-6-4-10(2)5-7-11/h4-7H,3,8-9H2,1-2H3,(H,14,17)