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

Systemtic Name: N-cyclopropyl-2-[2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]benzamide Openeye Name: N-cyclopropyl-2-[[2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide CAS Name: N-cyclopropyl-2-[[1-oxo-2-[[4-phenyl-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]benzamide IUPAC Name: N-cyclopropyl-2-[[2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]benzamide Traditional Name: N-cyclopropyl-2-[[2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]benzamide Formula: C25H29N6O2S+ MolecularWeight: 477.60176

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C(=O)NC5CC5

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=C4C(=O)NC5CC5

InChI

InChI=1S/C25H28N6O2S/c32-23(27-21-11-5-4-10-20(21)24(33)26-18-12-13-18)17-34-25-29-28-22(16-30-14-6-7-15-30)31(25)19-8-2-1-3-9-19/h1-5,8-11,18H,6-7,12-17H2,(H,26,33)(H,27,32)/p+1