3-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one

Systemtic Name: 3-[(1-ethyl-5-morpholin-4-ylsulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Openeye Name: 3-[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one CAS Name: 3-[[[1-ethyl-5-(4-morpholinylsulfonyl)-2-benzimidazolyl]thio]methyl]-1,2,3-benzotriazin-4-one IUPAC Name: 3-[(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylmethyl]-1,2,3-benzotriazin-4-one Traditional Name: 3-[[(1-ethyl-5-morpholinosulfonyl-benzimidazol-2-yl)thio]methyl]-1,2,3-benzotriazin-4-one Formula: C21H22N6O4S2 MolecularWeight: 486.56718

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCN4C(=O)C5=CC=CC=C5N=N4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1SCN4C(=O)C5=CC=CC=C5N=N4

InChI

InChI=1S/C21H22N6O4S2/c1-2-26-19-8-7-15(33(29,30)25-9-11-31-12-10-25)13-18(19)22-21(26)32-14-27-20(28)16-5-3-4-6-17(16)23-24-27/h3-8,13H,2,9-12,14H2,1H3