N-[5-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(3-methylphenoxy)butanamide

Systemtic Name: N-[5-[[2,6-bis(chloranyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(3-methylphenoxy)butanamide Openeye Name: N-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(3-methylphenoxy)butanamide CAS Name: N-[5-[(2,6-dichlorophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-4-(3-methylphenoxy)butanamide IUPAC Name: N-[5-[(2,6-dichlorophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-(3-methylphenoxy)butanamide Traditional Name: N-[5-[(2,6-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-4-(3-methylphenoxy)butyramide Formula: C20H19Cl2N3O2S2 MolecularWeight: 468.41976

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCCCC(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)Cl

Isomeric SMILES

CC1=CC(=CC=C1)OCCCC(=O)NC2=NN=C(S2)SCC3=C(C=CC=C3Cl)Cl

InChI

InChI=1S/C20H19Cl2N3O2S2/c1-13-5-2-6-14(11-13)27-10-4-9-18(26)23-19-24-25-20(29-19)28-12-15-16(21)7-3-8-17(15)22/h2-3,5-8,11H,4,9-10,12H2,1H3,(H,23,24,26)