1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(5-pyrrolidin-1-ylcarbonyl-1H-pyrrol-3-yl)-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-[5-[oxo(1-pyrrolidinyl)methyl]-1H-pyrrol-3-yl]-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]-2-[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]ethanone Formula: C18H19N5O2S2 MolecularWeight: 401.50576

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

C1CCN(C1)C(=O)C2=CC(=CN2)C(=O)CSC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C18H19N5O2S2/c24-15(12-8-14(19-10-12)17(25)23-5-1-2-6-23)11-27-18-20-16(21-22-18)9-13-4-3-7-26-13/h3-4,7-8,10,19H,1-2,5-6,9,11H2,(H,20,21,22)