2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[4-azanyl-6-[(2-methylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylthio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[4-amino-6-(2-methylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[4-amino-6-(o-toluidino)-s-triazin-2-yl]methylthio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C20H22N8O2S2 MolecularWeight: 470.57108

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=NC(=NC(=N3)NC4=CC=CC=C4C)N

InChI

InChI=1S/C20H22N8O2S2/c1-3-28-16-9-8-13(32(22,29)30)10-15(16)24-20(28)31-11-17-25-18(21)27-19(26-17)23-14-7-5-4-6-12(14)2/h4-10H,3,11H2,1-2H3,(H2,22,29,30)(H3,21,23,25,26,27)