3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide

Systemtic Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide Openeye Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]propanamide CAS Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2R)-2-phenyl-2-(1-pyrrolidin-1-iumyl)ethyl]propanamide IUPAC Name: 3-[3-(3-methylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-ylethyl]propanamide Traditional Name: 3-[3-(m-tolyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-N-[(2R)-2-phenyl-2-pyrrolidin-1-ium-1-yl-ethyl]propionamide Formula: C24H30N5OS+ MolecularWeight: 436.5929

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NCC(C3=CC=CC=C3)[NH+]4CCCC4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NNC(=S)N2CCC(=O)NC[C@@H](C3=CC=CC=C3)[NH+]4CCCC4

InChI

InChI=1S/C24H29N5OS/c1-18-8-7-11-20(16-18)23-26-27-24(31)29(23)15-12-22(30)25-17-21(28-13-5-6-14-28)19-9-3-2-4-10-19/h2-4,7-11,16,21H,5-6,12-15,17H2,1H3,(H,25,30)(H,27,31)/p+1/t21-/m0/s1