3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-(4-phenylbutyl)-2H-1,2,4-triazin-5-one

Systemtic Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-(4-phenylbutyl)-2H-1,2,4-triazin-5-one Openeye Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-(4-phenylbutyl)-2H-1,2,4-triazin-5-one CAS Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-6-(4-phenylbutyl)-2H-1,2,4-triazin-5-one IUPAC Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-6-(4-phenylbutyl)-2H-1,2,4-triazin-5-one Traditional Name: 3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-6-(4-phenylbutyl)-2H-1,2,4-triazin-5-one Formula: C20H26N6OS MolecularWeight: 398.52504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC(=O)C(=NN2)CCCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC(=O)C(=NN2)CCCCC3=CC=CC=C3

InChI

InChI=1S/C20H26N6OS/c1-15-18(23-14-22-15)13-28-12-11-21-20-24-19(27)17(25-26-20)10-6-5-9-16-7-3-2-4-8-16/h2-4,7-8,14H,5-6,9-13H2,1H3,(H,22,23)(H2,21,24,26,27)