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

Systemtic Name: 2-[(4-azanyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]ethanamide Openeye Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide CAS Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]acetamide IUPAC Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]acetamide Traditional Name: 2-[(4-amino-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-[3-(2-ketopyrrolidino)phenyl]acetamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(N3N)CCC4=CC=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CSC3=NN=C(N3N)CCC4=CC=CC=C4

InChI

InChI=1S/C22H24N6O2S/c23-28-19(12-11-16-6-2-1-3-7-16)25-26-22(28)31-15-20(29)24-17-8-4-9-18(14-17)27-13-5-10-21(27)30/h1-4,6-9,14H,5,10-13,15,23H2,(H,24,29)