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

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxy-4-prop-2-enyl-phenoxy)ethanamide Openeye Name: 2-(4-allyl-2-methoxy-phenoxy)-N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]acetamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-(2-methoxy-4-prop-2-enylphenoxy)acetamide Traditional Name: 2-(4-allyl-2-methoxy-phenoxy)-N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]acetamide Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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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=C(C=C3)C#N

Isomeric SMILES

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

InChI

InChI=1S/C22H20N4O3S2/c1-3-4-15-9-10-18(19(11-15)28-2)29-13-20(27)24-21-25-26-22(31-21)30-14-17-7-5-16(12-23)6-8-17/h3,5-11H,1,4,13-14H2,2H3,(H,24,25,27)