3-(3-methylbutylsulfanyl)-4-phenethyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-(3-methylbutylsulfanyl)-4-phenethyl-1H-1,2,4-triazol-5-one Openeye Name: 3-isopentylsulfanyl-4-phenethyl-1H-1,2,4-triazol-5-one CAS Name: 3-(3-methylbutylthio)-4-phenethyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-(3-methylbutylsulfanyl)-4-phenethyl-1H-1,2,4-triazol-5-one Traditional Name: 3-(isoamylthio)-4-phenethyl-1H-1,2,4-triazol-5-one Formula: C15H21N3OS MolecularWeight: 291.41174

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NNC(=O)N1CCC2=CC=CC=C2

Isomeric SMILES

CC(C)CCSC1=NNC(=O)N1CCC2=CC=CC=C2

InChI

InChI=1S/C15H21N3OS/c1-12(2)9-11-20-15-17-16-14(19)18(15)10-8-13-6-4-3-5-7-13/h3-7,12H,8-11H2,1-2H3,(H,16,19)