(E)-3-(1,3-benzodioxol-5-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide

Systemtic Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Openeye Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)-2-propenamide IUPAC Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)prop-2-enamide Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)-N-(5-phenethyl-1,3,4-thiadiazol-2-yl)acrylamide Formula: C20H17N3O3S MolecularWeight: 379.43228

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C=CC(=O)NC3=NN=C(S3)CCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)/C=C/C(=O)NC3=NN=C(S3)CCC4=CC=CC=C4

InChI

InChI=1S/C20H17N3O3S/c24-18(10-7-15-6-9-16-17(12-15)26-13-25-16)21-20-23-22-19(27-20)11-8-14-4-2-1-3-5-14/h1-7,9-10,12H,8,11,13H2,(H,21,23,24)/b10-7+