2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide

Systemtic Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[4-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: N-[4-(2-ketopyrrolidino)phenyl]-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCC3=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)N3CCCC3=O)C4=CC=CC=C4

InChI

InChI=1S/C21H21N5O2S/c1-25-20(15-6-3-2-4-7-15)23-24-21(25)29-14-18(27)22-16-9-11-17(12-10-16)26-13-5-8-19(26)28/h2-4,6-7,9-12H,5,8,13-14H2,1H3,(H,22,27)