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

Systemtic Name: 4-[1-ethyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzimidazol-5-yl]sulfonylmorpholine Formula: C20H22N6O3S3 MolecularWeight: 490.62208

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NNC(=N4)C5=CC=CS5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=NNC(=N4)C5=CC=CS5

InChI

InChI=1S/C20H22N6O3S3/c1-2-26-16-6-5-14(32(27,28)25-7-9-29-10-8-25)12-15(16)21-18(26)13-31-20-22-19(23-24-20)17-4-3-11-30-17/h3-6,11-12H,2,7-10,13H2,1H3,(H,22,23,24)