3-tert-butyl-5-[(1S)-1-[[4-(phenylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole

Systemtic Name: 3-tert-butyl-5-[(1S)-1-[[4-(phenylmethyl)-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole Openeye Name: 5-[(1S)-1-[[4-benzyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole CAS Name: 3-tert-butyl-5-[(1S)-1-[[4-(phenylmethyl)-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]-1,2,4-oxadiazole IUPAC Name: 5-[(1S)-1-[[4-benzyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-tert-butyl-1,2,4-oxadiazole Traditional Name: 5-[(1S)-1-[[4-benzyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]-3-tert-butyl-1,2,4-oxadiazole Formula: C22H31N6OS+ MolecularWeight: 427.58614

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NC(=NO1)C(C)(C)C)SC2=NN=C(N2CC3=CC=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

C[C@@H](C1=NC(=NO1)C(C)(C)C)SC2=NN=C(N2CC3=CC=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C22H30N6OS/c1-16(19-23-20(26-29-19)22(2,3)4)30-21-25-24-18(15-27-12-8-9-13-27)28(21)14-17-10-6-5-7-11-17/h5-7,10-11,16H,8-9,12-15H2,1-4H3/p+1/t16-/m0/s1