1-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrolidin-2-one

Systemtic Name: 1-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]pyrrolidin-2-one Openeye Name: 1-[2-[[4-phenethyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one CAS Name: 1-[1-oxo-2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]ethyl]-2-pyrrolidinone IUPAC Name: 1-[2-[[4-phenethyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]pyrrolidin-2-one Traditional Name: 1-[2-[[4-phenethyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]acetyl]-2-pyrrolidone Formula: C21H22N4O2S2 MolecularWeight: 426.55498

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

Isomeric SMILES

C1CC(=O)N(C1)C(=O)CSC2=NN=C(N2CCC3=CC=CC=C3)CC4=CC=CS4

InChI

InChI=1S/C21H22N4O2S2/c26-19-9-4-11-25(19)20(27)15-29-21-23-22-18(14-17-8-5-13-28-17)24(21)12-10-16-6-2-1-3-7-16/h1-3,5-8,13H,4,9-12,14-15H2