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

Systemtic Name: 3-bromanyl-4-ethoxy-5-methoxy-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-bromo-4-ethoxy-5-methoxy-benzamide CAS Name: 3-bromo-4-ethoxy-5-methoxy-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-3-bromo-4-ethoxy-5-methoxybenzamide Traditional Name: N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]-3-bromo-4-ethoxy-5-methoxy-benzamide Formula: C19H18BrN3O3S2 MolecularWeight: 480.39852

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18BrN3O3S2/c1-3-26-16-14(20)9-13(10-15(16)25-2)17(24)21-18-22-23-19(28-18)27-11-12-7-5-4-6-8-12/h4-10H,3,11H2,1-2H3,(H,21,22,24)