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

Systemtic Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 2-[[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[[(5-cyclopropyl-4-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(N4C)C5CC5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4C)C5CC5

InChI

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