2-(2-methoxy-4-prop-2-enyl-phenoxy)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide

Systemtic Name: 2-(2-methoxy-4-prop-2-enyl-phenoxy)-N-[5-(phenylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]ethanamide Openeye Name: 2-(4-allyl-2-methoxy-phenoxy)-N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)acetamide CAS Name: 2-(2-methoxy-4-prop-2-enylphenoxy)-N-[5-(phenylmethylthio)-1,3,4-thiadiazol-2-yl]acetamide IUPAC Name: N-(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide Traditional Name: 2-(4-allyl-2-methoxy-phenoxy)-N-[5-(benzylthio)-1,3,4-thiadiazol-2-yl]acetamide Formula: C21H21N3O3S2 MolecularWeight: 427.53974

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)CC=C)OCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

Isomeric SMILES

COC1=C(C=CC(=C1)CC=C)OCC(=O)NC2=NN=C(S2)SCC3=CC=CC=C3

InChI

InChI=1S/C21H21N3O3S2/c1-3-7-15-10-11-17(18(12-15)26-2)27-13-19(25)22-20-23-24-21(29-20)28-14-16-8-5-4-6-9-16/h3-6,8-12H,1,7,13-14H2,2H3,(H,22,23,25)