[4-[[3-(3-chlorophenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[[3-(3-chlorophenyl)-2-sulfanylidene-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[3-(3-chlorophenyl)-2-thioxo-imidazol-1-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[3-(3-chlorophenyl)-2-sulfanylidene-1-imidazolyl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[[3-(3-chlorophenyl)-2-sulfanylideneimidazol-1-yl]methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[3-(3-chlorophenyl)-2-thioxo-4-imidazolin-1-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C19H20ClN4OS2+ MolecularWeight: 419.9713

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C=CN(C2=S)C3=CC(=CC=C3)Cl)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C=CN(C2=S)C3=CC(=CC=C3)Cl)C(=O)C4=CC=CS4

InChI

InChI=1S/C19H19ClN4OS2/c20-15-3-1-4-16(13-15)24-11-10-23(19(24)26)14-21-6-8-22(9-7-21)18(25)17-5-2-12-27-17/h1-5,10-13H,6-9,14H2/p+1