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

Systemtic Name: methyl 2-[[5-(2-bromophenyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methylamino]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C17H14BrN3O3S MolecularWeight: 420.28036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14BrN3O3S/c1-23-16(22)12-7-3-5-9-14(12)19-10-21-17(25)24-15(20-21)11-6-2-4-8-13(11)18/h2-9,19H,10H2,1H3