1-ethyl-5-piperidin-1-ylsulfonyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole

Systemtic Name: 1-ethyl-5-piperidin-1-ylsulfonyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole Openeye Name: 1-ethyl-5-(1-piperidylsulfonyl)-2-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzimidazole CAS Name: 1-ethyl-5-(1-piperidinylsulfonyl)-2-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]benzimidazole IUPAC Name: 1-ethyl-5-piperidin-1-ylsulfonyl-2-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole Traditional Name: 1-ethyl-5-piperidinosulfonyl-2-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzimidazole Formula: C21H24N6O2S3 MolecularWeight: 488.64926

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NNC(=N4)C5=CC=CS5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NNC(=N4)C5=CC=CS5

InChI

InChI=1S/C21H24N6O2S3/c1-2-27-17-9-8-15(32(28,29)26-10-4-3-5-11-26)13-16(17)22-19(27)14-31-21-23-20(24-25-21)18-7-6-12-30-18/h6-9,12-13H,2-5,10-11,14H2,1H3,(H,23,24,25)