2-(2-cyanophenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide

Systemtic Name: 2-(2-cyanophenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Openeye Name: 2-(2-cyanophenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide CAS Name: 2-[(2-cyanophenyl)thio]-N-[4-(1-pyrrolidin-1-iumylmethyl)-2-thiazolyl]benzamide IUPAC Name: 2-(2-cyanophenyl)sulfanyl-N-[4-(pyrrolidin-1-ium-1-ylmethyl)-1,3-thiazol-2-yl]benzamide Traditional Name: 2-[(2-cyanophenyl)thio]-N-[4-(pyrrolidin-1-ium-1-ylmethyl)thiazol-2-yl]benzamide Formula: C22H21N4OS2+ MolecularWeight: 421.55834

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

Isomeric SMILES

C1CC[NH+](C1)CC2=CSC(=N2)NC(=O)C3=CC=CC=C3SC4=CC=CC=C4C#N

InChI

InChI=1S/C22H20N4OS2/c23-13-16-7-1-3-9-19(16)29-20-10-4-2-8-18(20)21(27)25-22-24-17(15-28-22)14-26-11-5-6-12-26/h1-4,7-10,15H,5-6,11-12,14H2,(H,24,25,27)/p+1