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

Systemtic Name: 2-(4-chloranyl-3-methyl-phenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 2-(4-chloro-3-methyl-phenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 2-(4-chloro-3-methylphenoxy)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 2-(4-chloro-3-methylphenoxy)-N-(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 2-(4-chloro-3-methyl-phenoxy)-N-[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C20H18ClN3O3S2 MolecularWeight: 447.95822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)OC(C)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C=CC(=C1)OC(C)C(=O)NC2=NN=C(S2)SCC(=O)C3=CC=CC=C3)Cl

InChI

InChI=1S/C20H18ClN3O3S2/c1-12-10-15(8-9-16(12)21)27-13(2)18(26)22-19-23-24-20(29-19)28-11-17(25)14-6-4-3-5-7-14/h3-10,13H,11H2,1-2H3,(H,22,23,26)