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

Systemtic Name: 4-butyl-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Openeye Name: 4-butyl-3-(o-tolylmethylsulfanyl)-1H-1,2,4-triazol-5-one CAS Name: 4-butyl-3-[(2-methylphenyl)methylthio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-butyl-3-[(2-methylphenyl)methylsulfanyl]-1H-1,2,4-triazol-5-one Traditional Name: 4-butyl-3-[(2-methylbenzyl)thio]-1H-1,2,4-triazol-5-one Formula: C14H19N3OS MolecularWeight: 277.38516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)NN=C1SCC2=CC=CC=C2C

Isomeric SMILES

CCCCN1C(=O)NN=C1SCC2=CC=CC=C2C

InChI

InChI=1S/C14H19N3OS/c1-3-4-9-17-13(18)15-16-14(17)19-10-12-8-6-5-7-11(12)2/h5-8H,3-4,9-10H2,1-2H3,(H,15,18)