N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide

Systemtic Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide Openeye Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide CAS Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide IUPAC Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxybenzamide Traditional Name: N-[5-(4-bromophenyl)-1,3,4-thiadiazol-2-yl]-3,4,5-triethoxy-benzamide Formula: C21H22BrN3O4S MolecularWeight: 492.38608

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Br

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)NC2=NN=C(S2)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3O4S/c1-4-27-16-11-14(12-17(28-5-2)18(16)29-6-3)19(26)23-21-25-24-20(30-21)13-7-9-15(22)10-8-13/h7-12H,4-6H2,1-3H3,(H,23,25,26)