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

Systemtic Name: N-(ethylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(ethylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(ethylcarbamoyl)-2-[[4-phenyl-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(ethylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(ethylcarbamoyl)-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H25N6O2S+ MolecularWeight: 389.4951

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H24N6O2S/c1-2-19-17(26)20-16(25)13-27-18-22-21-15(12-23-10-6-7-11-23)24(18)14-8-4-3-5-9-14/h3-5,8-9H,2,6-7,10-13H2,1H3,(H2,19,20,25,26)/p+1