2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-cyanophenyl)ethanamide

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-cyanophenyl)ethanamide Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-cyanophenyl)acetamide CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-cyanophenyl)acetamide IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-(3-cyanophenyl)acetamide Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-(3-cyanophenyl)acetamide Formula: C17H12ClN5OS MolecularWeight: 369.82808

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl)C#N

InChI

InChI=1S/C17H12ClN5OS/c18-13-6-4-12(5-7-13)16-21-22-17(25)23(16)10-15(24)20-14-3-1-2-11(8-14)9-19/h1-8H,10H2,(H,20,24)(H,22,25)