ethyl 2-[[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate

Systemtic Name: ethyl 2-[[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Openeye Name: ethyl 2-[[5-(2-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]benzoate CAS Name: 2-[[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Traditional Name: 2-[[5-(2-bromophenyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methylamino]benzoic acid ethyl ester Formula: C18H16BrN3O3S MolecularWeight: 434.30694

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NCN2C(=S)OC(=N2)C3=CC=CC=C3Br

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NCN2C(=S)OC(=N2)C3=CC=CC=C3Br

InChI

InChI=1S/C18H16BrN3O3S/c1-2-24-17(23)13-8-4-6-10-15(13)20-11-22-18(26)25-16(21-22)12-7-3-5-9-14(12)19/h3-10,20H,2,11H2,1H3