6-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylazaniumyl]hexanoate

Systemtic Name: 6-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylazaniumyl]hexanoate Openeye Name: 6-[[5-(4-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylammonio]hexanoate CAS Name: 6-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylammonio]hexanoate IUPAC Name: 6-[[5-(4-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylazaniumyl]hexanoate Traditional Name: 6-[[5-(4-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylammonio]hexanoate Formula: C15H18BrN3O3S MolecularWeight: 400.29072

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=NN(C(=S)O2)C[NH2+]CCCCCC(=O)[O-])Br

Isomeric SMILES

C1=CC(=CC=C1C2=NN(C(=S)O2)C[NH2+]CCCCCC(=O)[O-])Br

InChI

InChI=1S/C15H18BrN3O3S/c16-12-7-5-11(6-8-12)14-18-19(15(23)22-14)10-17-9-3-1-2-4-13(20)21/h5-8,17H,1-4,9-10H2,(H,20,21)