3-bromanyl-5-methoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-propoxy-benzamide

Systemtic Name: 3-bromanyl-5-methoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-propoxy-benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-bromo-5-methoxy-4-propoxy-benzamide CAS Name: 3-bromo-5-methoxy-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]-4-propoxybenzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-bromo-5-methoxy-4-propoxybenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-bromo-5-methoxy-4-propoxy-benzamide Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)OC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)NC2=NN=C(S2)SCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H20BrN3O3S2/c1-3-9-27-17-15(21)10-14(11-16(17)26-2)18(25)22-19-23-24-20(29-19)28-12-13-7-5-4-6-8-13/h4-8,10-11H,3,9,12H2,1-2H3,(H,22,23,25)