3-(azepan-1-ium-1-ylmethyl)-5-(2-bromophenyl)-1,3,4-oxadiazole-2-thione

Systemtic Name: 3-(azepan-1-ium-1-ylmethyl)-5-(2-bromophenyl)-1,3,4-oxadiazole-2-thione Openeye Name: 3-(azepan-1-ium-1-ylmethyl)-5-(2-bromophenyl)-1,3,4-oxadiazole-2-thione CAS Name: 3-(1-azepan-1-iumylmethyl)-5-(2-bromophenyl)-1,3,4-oxadiazole-2-thione IUPAC Name: 3-(azepan-1-ium-1-ylmethyl)-5-(2-bromophenyl)-1,3,4-oxadiazole-2-thione Traditional Name: 3-(azepan-1-ium-1-ylmethyl)-5-(2-bromophenyl)-1,3,4-oxadiazole-2-thione Formula: C15H19BrN3OS+ MolecularWeight: 369.29986

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

C1CCC[NH+](CC1)CN2C(=S)OC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C15H18BrN3OS/c16-13-8-4-3-7-12(13)14-17-19(15(21)20-14)11-18-9-5-1-2-6-10-18/h3-4,7-8H,1-2,5-6,9-11H2/p+1