N-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide

Systemtic Name: N-[5-[2-(4-bromophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Openeye Name: N-[5-[2-(4-bromophenyl)-2-oxo-ethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide CAS Name: N-[5-[[2-(4-bromophenyl)-2-oxoethyl]thio]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide IUPAC Name: N-[5-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-1,3,4-thiadiazol-2-yl]-3,4-dimethoxybenzamide Traditional Name: N-[5-[[2-(4-bromophenyl)-2-keto-ethyl]thio]-1,3,4-thiadiazol-2-yl]-3,4-dimethoxy-benzamide Formula: C19H16BrN3O4S2 MolecularWeight: 494.38204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C19H16BrN3O4S2/c1-26-15-8-5-12(9-16(15)27-2)17(25)21-18-22-23-19(29-18)28-10-14(24)11-3-6-13(20)7-4-11/h3-9H,10H2,1-2H3,(H,21,22,25)