2-[2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiophene-3-carboxamide

Systemtic Name: 2-[2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoylamino]thiophene-3-carboxamide Openeye Name: 2-[[2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide CAS Name: 2-[[1-oxo-2-[[4-phenyl-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]amino]-3-thiophenecarboxamide IUPAC Name: 2-[[2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]thiophene-3-carboxamide Traditional Name: 2-[[2-[[4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazol-3-yl]thio]acetyl]amino]thiophene-3-carboxamide Formula: C20H23N6O2S2+ MolecularWeight: 443.56562

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CS4)C(=O)N

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CS4)C(=O)N

InChI

InChI=1S/C20H22N6O2S2/c21-18(28)15-8-11-29-19(15)22-17(27)13-30-20-24-23-16(12-25-9-4-5-10-25)26(20)14-6-2-1-3-7-14/h1-3,6-8,11H,4-5,9-10,12-13H2,(H2,21,28)(H,22,27)/p+1