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

Systemtic Name: N-cyclopropyl-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-cyclopropyl-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-cyclopropyl-2-[[4-phenyl-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-cyclopropyl-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-cyclopropyl-2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C18H24N5OS+ MolecularWeight: 358.48106

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4CC4

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4CC4

InChI

InChI=1S/C18H23N5OS/c24-17(19-14-8-9-14)13-25-18-21-20-16(12-22-10-4-5-11-22)23(18)15-6-2-1-3-7-15/h1-3,6-7,14H,4-5,8-13H2,(H,19,24)/p+1