3-(3-methylbutylsulfanyl)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-(3-methylbutylsulfanyl)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one Openeye Name: 6-benzyl-3-isopentylsulfanyl-2H-1,2,4-triazin-5-one CAS Name: 3-(3-methylbutylthio)-6-(phenylmethyl)-2H-1,2,4-triazin-5-one IUPAC Name: 6-benzyl-3-(3-methylbutylsulfanyl)-2H-1,2,4-triazin-5-one Traditional Name: 6-benzyl-3-(isoamylthio)-2H-1,2,4-triazin-5-one Formula: C15H19N3OS MolecularWeight: 289.39586

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCSC1=NC(=O)C(=NN1)CC2=CC=CC=C2

Isomeric SMILES

CC(C)CCSC1=NC(=O)C(=NN1)CC2=CC=CC=C2

InChI

InChI=1S/C15H19N3OS/c1-11(2)8-9-20-15-16-14(19)13(17-18-15)10-12-6-4-3-5-7-12/h3-7,11H,8-10H2,1-2H3,(H,16,18,19)