2-methyl-5-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole

Systemtic Name: 2-methyl-5-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole Openeye Name: 2-methyl-5-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole CAS Name: 2-methyl-5-[[[4-phenyl-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3,4-oxadiazole IUPAC Name: 2-methyl-5-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,3,4-oxadiazole Traditional Name: 2-methyl-5-[[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-1,3,4-oxadiazole Formula: C17H21N6OS+ MolecularWeight: 357.45324

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(O1)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCC4

Isomeric SMILES

CC1=NN=C(O1)CSC2=NN=C(N2C3=CC=CC=C3)C[NH+]4CCCC4

InChI

InChI=1S/C17H20N6OS/c1-13-18-20-16(24-13)12-25-17-21-19-15(11-22-9-5-6-10-22)23(17)14-7-3-2-4-8-14/h2-4,7-8H,5-6,9-12H2,1H3/p+1