3-bromanyl-4-ethoxy-5-methoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 3-bromanyl-4-ethoxy-5-methoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-bromo-4-ethoxy-5-methoxy-N-[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-bromo-4-ethoxy-5-methoxy-N-[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-bromo-4-ethoxy-5-methoxy-N-[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-bromo-4-ethoxy-5-methoxy-N-[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]benzamide Formula: C20H20BrN3O3S2 MolecularWeight: 494.4251

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1Br)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C)OC

Isomeric SMILES

CCOC1=C(C=C(C=C1Br)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C)OC

InChI

InChI=1S/C20H20BrN3O3S2/c1-4-27-17-15(21)9-14(10-16(17)26-3)18(25)22-19-23-24-20(29-19)28-11-13-7-5-12(2)6-8-13/h5-10H,4,11H2,1-3H3,(H,22,23,25)