(2R)-N,N-dimethyl-1-[(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-ium-2-carboxamide

Systemtic Name: (2R)-N,N-dimethyl-1-[(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-ium-2-carboxamide Openeye Name: (2R)-N,N-dimethyl-1-[[4-phenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]pyrrolidin-1-ium-2-carboxamide CAS Name: (2R)-N,N-dimethyl-1-[[4-phenyl-3-(3-pyridinyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-2-pyrrolidin-1-iumcarboxamide IUPAC Name: (2R)-N,N-dimethyl-1-[(4-phenyl-3-pyridin-3-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-ium-2-carboxamide Traditional Name: (2R)-N,N-dimethyl-1-[[4-phenyl-3-(3-pyridyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]pyrrolidin-1-ium-2-carboxamide Formula: C21H25N6OS+ MolecularWeight: 409.5278

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CCC[NH+]1CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)C(=O)[C@H]1CCC[NH+]1CN2C(=S)N(C(=N2)C3=CN=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6OS/c1-24(2)20(28)18-11-7-13-25(18)15-26-21(29)27(17-9-4-3-5-10-17)19(23-26)16-8-6-12-22-14-16/h3-6,8-10,12,14,18H,7,11,13,15H2,1-2H3/p+1/t18-/m1/s1