4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[2-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethylbenzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[2-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-benzimidazol-5-yl]sulfonylmorpholine Formula: C22H28N6O3S2 MolecularWeight: 488.62612

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NN=C(N4C5CC5)C6CC6

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NN=C(N4C5CC5)C6CC6

InChI

InChI=1S/C22H28N6O3S2/c1-2-27-19-8-7-17(33(29,30)26-9-11-31-12-10-26)13-18(19)23-20(27)14-32-22-25-24-21(15-3-4-15)28(22)16-5-6-16/h7-8,13,15-16H,2-6,9-12,14H2,1H3