5-[(Z)-2-(4-butoxyphenyl)-1-chloranyl-ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide

Systemtic Name: 5-[(Z)-2-(4-butoxyphenyl)-1-chloranyl-ethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide Openeye Name: 5-[(Z)-2-(4-butoxyphenyl)-1-chloro-vinyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide CAS Name: 5-[(Z)-2-(4-butoxyphenyl)-1-chloroethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide IUPAC Name: 5-[(Z)-2-(4-butoxyphenyl)-1-chloroethenyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide Traditional Name: 5-[(Z)-2-(4-butoxyphenyl)-1-chloro-vinyl]-N-phenyl-1,3,4-thiadiazole-2-carboxamide Formula: C21H20ClN3O2S MolecularWeight: 413.9204

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C=C(C2=NN=C(S2)C(=O)NC3=CC=CC=C3)Cl

Isomeric SMILES

CCCCOC1=CC=C(C=C1)/C=C(/C2=NN=C(S2)C(=O)NC3=CC=CC=C3)\Cl

InChI

InChI=1S/C21H20ClN3O2S/c1-2-3-13-27-17-11-9-15(10-12-17)14-18(22)20-24-25-21(28-20)19(26)23-16-7-5-4-6-8-16/h4-12,14H,2-3,13H2,1H3,(H,23,26)/b18-14-