(E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-N-(1,3,4-thiadiazol-2-yl)acrylamide Formula: C19H16BrN3O3S MolecularWeight: 446.31764

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=CC(=O)NC2=NN=CS2)Br)OCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C/C(=O)NC2=NN=CS2)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C19H16BrN3O3S/c1-25-16-10-14(7-8-17(24)22-19-23-21-12-27-19)9-15(20)18(16)26-11-13-5-3-2-4-6-13/h2-10,12H,11H2,1H3,(H,22,23,24)/b8-7+