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

Systemtic Name: 2-[[4-azanyl-6-[(2-ethylphenyl)amino]-1,3,5-triazin-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylthio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[4-amino-6-(2-ethylanilino)-1,3,5-triazin-2-yl]methylsulfanyl]-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[4-amino-6-(2-ethylanilino)-s-triazin-2-yl]methylthio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C21H24N8O2S2 MolecularWeight: 484.59766

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=C(N3CC)C=CC(=C4)S(=O)(=O)N

Isomeric SMILES

CCC1=CC=CC=C1NC2=NC(=NC(=N2)N)CSC3=NC4=C(N3CC)C=CC(=C4)S(=O)(=O)N

InChI

InChI=1S/C21H24N8O2S2/c1-3-13-7-5-6-8-15(13)24-20-27-18(26-19(22)28-20)12-32-21-25-16-11-14(33(23,30)31)9-10-17(16)29(21)4-2/h5-11H,3-4,12H2,1-2H3,(H2,23,30,31)(H3,22,24,26,27,28)