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

Systemtic Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 2-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-piperidinosulfonyl-benzimidazole Formula: C21H28N6O2S2 MolecularWeight: 460.61602

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4C5CC5)C

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4C5CC5)C

InChI

InChI=1S/C21H28N6O2S2/c1-3-26-19-10-9-17(31(28,29)25-11-5-4-6-12-25)13-18(19)22-20(26)14-30-21-24-23-15(2)27(21)16-7-8-16/h9-10,13,16H,3-8,11-12,14H2,1-2H3