5-(2-methylphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 5-(2-methylphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Openeye Name: 5-(o-tolyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione CAS Name: 5-(2-methylphenyl)-3-(1-pyrrolidin-1-iumylmethyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 5-(2-methylphenyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Traditional Name: 5-(o-tolyl)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole-2-thione Formula: C14H18N3OS+ MolecularWeight: 276.37722

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCCC3

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=S)O2)C[NH+]3CCCC3

InChI

InChI=1S/C14H17N3OS/c1-11-6-2-3-7-12(11)13-15-17(14(19)18-13)10-16-8-4-5-9-16/h2-3,6-7H,4-5,8-10H2,1H3/p+1