3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide

Systemtic Name: 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide Openeye Name: 3-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide CAS Name: 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-[(5-ethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide Traditional Name: 3-[(4-allyl-5-ethyl-1,2,4-triazol-3-yl)thio]-N-[3-(2-ketopyrrolidino)phenyl]propionamide Formula: C20H25N5O2S MolecularWeight: 399.5098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=CC(=C2)N3CCCC3=O

Isomeric SMILES

CCC1=NN=C(N1CC=C)SCCC(=O)NC2=CC=CC(=C2)N3CCCC3=O

InChI

InChI=1S/C20H25N5O2S/c1-3-11-25-17(4-2)22-23-20(25)28-13-10-18(26)21-15-7-5-8-16(14-15)24-12-6-9-19(24)27/h3,5,7-8,14H,1,4,6,9-13H2,2H3,(H,21,26)