(E)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide

Systemtic Name: (E)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide Openeye Name: (E)-3-(4-benzyloxyphenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylmethoxyphenyl)-2-propenamide IUPAC Name: (E)-N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-(4-phenylmethoxyphenyl)prop-2-enamide Traditional Name: (E)-3-(4-benzoxyphenyl)-N-(5-butyl-1,3,4-thiadiazol-2-yl)acrylamide Formula: C22H23N3O2S MolecularWeight: 393.50192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C=CC2=CC=C(C=C2)OCC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)/C=C/C2=CC=C(C=C2)OCC3=CC=CC=C3

InChI

InChI=1S/C22H23N3O2S/c1-2-3-9-21-24-25-22(28-21)23-20(26)15-12-17-10-13-19(14-11-17)27-16-18-7-5-4-6-8-18/h4-8,10-15H,2-3,9,16H2,1H3,(H,23,25,26)/b15-12+