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

Systemtic Name: (E)-3-(3-bromanyl-5-methoxy-4-phenylmethoxy-phenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxy-3-bromo-5-methoxy-phenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(3-bromo-5-methoxy-4-phenylmethoxyphenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxy-3-bromo-5-methoxy-phenyl)-N-(5-methyl-1,3,4-thiadiazol-2-yl)acrylamide Formula: C20H18BrN3O3S MolecularWeight: 460.34422

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)C=CC2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

Isomeric SMILES

CC1=NN=C(S1)NC(=O)/C=C/C2=CC(=C(C(=C2)Br)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C20H18BrN3O3S/c1-13-23-24-20(28-13)22-18(25)9-8-15-10-16(21)19(17(11-15)26-2)27-12-14-6-4-3-5-7-14/h3-11H,12H2,1-2H3,(H,22,24,25)/b9-8+