N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethoxyphenyl)propanamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethoxyphenyl)propanamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethoxyphenyl)propanamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethoxyphenyl)propanamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethoxyphenyl)propanamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-3-(2,3-dimethoxyphenyl)propionamide Formula: C21H20N4O3S2 MolecularWeight: 440.5385

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OC)CCC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

Isomeric SMILES

COC1=CC=CC(=C1OC)CCC(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N

InChI

InChI=1S/C21H20N4O3S2/c1-27-17-5-3-4-16(19(17)28-2)10-11-18(26)23-20-24-25-21(30-20)29-13-15-8-6-14(12-22)7-9-15/h3-9H,10-11,13H2,1-2H3,(H,23,24,26)