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

Systemtic Name: 6-(1H-benzimidazol-2-ylmethyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-2H-1,2,4-triazin-5-one Openeye Name: 6-(1H-benzimidazol-2-ylmethyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-2H-1,2,4-triazin-5-one CAS Name: 6-(1H-benzimidazol-2-ylmethyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-2H-1,2,4-triazin-5-one IUPAC Name: 6-(1H-benzimidazol-2-ylmethyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylsulfanyl]ethylamino]-2H-1,2,4-triazin-5-one Traditional Name: 6-(1H-benzimidazol-2-ylmethyl)-3-[2-[(5-methyl-1H-imidazol-4-yl)methylthio]ethylamino]-2H-1,2,4-triazin-5-one Formula: C18H20N8OS MolecularWeight: 396.4694

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=CN1)CSCCNC2=NC(=O)C(=NN2)CC3=NC4=CC=CC=C4N3

Isomeric SMILES

CC1=C(N=CN1)CSCCNC2=NC(=O)C(=NN2)CC3=NC4=CC=CC=C4N3

InChI

InChI=1S/C18H20N8OS/c1-11-15(21-10-20-11)9-28-7-6-19-18-24-17(27)14(25-26-18)8-16-22-12-4-2-3-5-13(12)23-16/h2-5,10H,6-9H2,1H3,(H,20,21)(H,22,23)(H2,19,24,26,27)