4-[1-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[(1H-1,2,4-triazol-5-ylthio)methyl]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-(1H-1,2,4-triazol-5-ylsulfanylmethyl)benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[(1H-1,2,4-triazol-5-ylthio)methyl]benzimidazol-5-yl]sulfonylmorpholine Formula: C16H20N6O3S2 MolecularWeight: 408.4984

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC=NN4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NC=NN4

InChI

InChI=1S/C16H20N6O3S2/c1-2-22-14-4-3-12(27(23,24)21-5-7-25-8-6-21)9-13(14)19-15(22)10-26-16-17-11-18-20-16/h3-4,9,11H,2,5-8,10H2,1H3,(H,17,18,20)