N-[5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: N-[5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: N-[5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide CAS Name: N-[5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: N-[5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: N-[5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,3,4-thiadiazol-2-yl]benzamide Formula: C15H19N4OS2+ MolecularWeight: 335.46756

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NN=C(S2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NN=C(S2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C15H18N4OS2/c20-13(12-6-2-1-3-7-12)16-14-17-18-15(22-14)21-11-10-19-8-4-5-9-19/h1-3,6-7H,4-5,8-11H2,(H,16,17,20)/p+1