N-[4-(2-chloranylphenoxy)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide

Systemtic Name: N-[4-(2-chloranylphenoxy)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Openeye Name: N-[4-(2-chlorophenoxy)phenyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propanamide CAS Name: N-[4-(2-chlorophenoxy)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide IUPAC Name: N-[4-(2-chlorophenoxy)phenyl]-3-(5-sulfanylidene-3-thiophen-2-yl-1H-1,2,4-triazol-4-yl)propanamide Traditional Name: N-[4-(2-chlorophenoxy)phenyl]-3-[3-(2-thienyl)-5-thioxo-1H-1,2,4-triazol-4-yl]propionamide Formula: C21H17ClN4O2S2 MolecularWeight: 456.96828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)OC2=CC=C(C=C2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4)Cl

Isomeric SMILES

C1=CC=C(C(=C1)OC2=CC=C(C=C2)NC(=O)CCN3C(=NNC3=S)C4=CC=CS4)Cl

InChI

InChI=1S/C21H17ClN4O2S2/c22-16-4-1-2-5-17(16)28-15-9-7-14(8-10-15)23-19(27)11-12-26-20(24-25-21(26)29)18-6-3-13-30-18/h1-10,13H,11-12H2,(H,23,27)(H,25,29)