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

Systemtic Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 2-[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 2-[[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1-ethyl-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 2-[[(4-allyl-5-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]-1-ethyl-5-piperidinosulfonyl-benzimidazole Formula: C23H30N6O2S2 MolecularWeight: 486.6533

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4CC=C)C5CC5

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=NN=C(N4CC=C)C5CC5

InChI

InChI=1S/C23H30N6O2S2/c1-3-12-29-22(17-8-9-17)25-26-23(29)32-16-21-24-19-15-18(10-11-20(19)28(21)4-2)33(30,31)27-13-6-5-7-14-27/h3,10-11,15,17H,1,4-9,12-14,16H2,2H3