2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 2-(4-chloranyl-3,5-dimethyl-phenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 2-(4-chloro-3,5-dimethylphenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 2-(4-chloro-3,5-dimethyl-phenoxy)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C21H20ClN3O3S2 MolecularWeight: 461.9848

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=CC(=C1Cl)C)OC(C)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H20ClN3O3S2/c1-12-9-16(10-13(2)18(12)22)28-14(3)19(27)23-20-24-25-21(30-20)29-11-17(26)15-7-5-4-6-8-15/h4-10,14H,11H2,1-3H3,(H,23,24,27)