5-[(2,4-dichlorophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[(2,4-dichlorophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(2,4-dichlorophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(2,4-dichlorophenyl)methylthio]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(2,4-dichlorophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(2,4-dichlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-(4-phenoxyphenyl)amine Formula: C21H15Cl2N3OS2 MolecularWeight: 460.3993

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1=CC=C(C=C1)OC2=CC=C(C=C2)NC3=NN=C(S3)SCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H15Cl2N3OS2/c22-15-7-6-14(19(23)12-15)13-28-21-26-25-20(29-21)24-16-8-10-18(11-9-16)27-17-4-2-1-3-5-17/h1-12H,13H2,(H,24,25)