2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[3-(4-chlorophenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-1-pyrrolidin-1-ylethanone Traditional Name: 2-[3-(4-chlorophenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-1-pyrrolidino-ethanone Formula: C14H15ClN4OS MolecularWeight: 322.8131

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)CN2C(=NNC2=S)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H15ClN4OS/c15-11-5-3-10(4-6-11)13-16-17-14(21)19(13)9-12(20)18-7-1-2-8-18/h3-6H,1-2,7-9H2,(H,17,21)