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

Systemtic Name: 5-[(3-chlorophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[(3-chlorophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine CAS Name: 5-[(3-chlorophenyl)methylthio]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[(3-chlorophenyl)methylsulfanyl]-N-(4-phenoxyphenyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(3-chlorobenzyl)thio]-1,3,4-thiadiazol-2-yl]-(4-phenoxyphenyl)amine Formula: C21H16ClN3OS2 MolecularWeight: 425.95424

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16ClN3OS2/c22-16-6-4-5-15(13-16)14-27-21-25-24-20(28-21)23-17-9-11-19(12-10-17)26-18-7-2-1-3-8-18/h1-13H,14H2,(H,23,24)