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

Systemtic Name: 1-ethyl-5-piperidin-1-ylsulfonyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole Openeye Name: 1-ethyl-2-[(4-isopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-5-(1-piperidinylsulfonyl)-2-[[(4-propan-2-yl-1,2,4-triazol-3-yl)thio]methyl]benzimidazole IUPAC Name: 1-ethyl-5-piperidin-1-ylsulfonyl-2-[(4-propan-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]benzimidazole Traditional Name: 1-ethyl-2-[[(4-isopropyl-1,2,4-triazol-3-yl)thio]methyl]-5-piperidinosulfonyl-benzimidazole Formula: C20H28N6O2S2 MolecularWeight: 448.60532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=CN4C(C)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=CN4C(C)C

InChI

InChI=1S/C20H28N6O2S2/c1-4-25-18-9-8-16(30(27,28)24-10-6-5-7-11-24)12-17(18)22-19(25)13-29-20-23-21-14-26(20)15(2)3/h8-9,12,14-15H,4-7,10-11,13H2,1-3H3