N-(methylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(methylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(methylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(methylcarbamoyl)-2-[[4-phenyl-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(methylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(methylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C17H23N6O2S+ MolecularWeight: 375.46852

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C[NH+]3CCCC3

Isomeric SMILES

CNC(=O)NC(=O)CSC1=NN=C(N1C2=CC=CC=C2)C[NH+]3CCCC3

InChI

InChI=1S/C17H22N6O2S/c1-18-16(25)19-15(24)12-26-17-21-20-14(11-22-9-5-6-10-22)23(17)13-7-3-2-4-8-13/h2-4,7-8H,5-6,9-12H2,1H3,(H2,18,19,24,25)/p+1