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

Systemtic Name: 3-[(4-azanyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]propanamide Openeye Name: 3-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide CAS Name: 3-[[4-amino-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]-N-[3-(2-oxo-1-pyrrolidinyl)phenyl]propanamide IUPAC Name: 3-[(4-amino-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)phenyl]propanamide Traditional Name: 3-[[4-amino-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]-N-[3-(2-ketopyrrolidino)phenyl]propionamide Formula: C20H21N7O2S MolecularWeight: 423.49144

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CCSC3=NN=C(N3N)C4=CN=CC=C4

Isomeric SMILES

C1CC(=O)N(C1)C2=CC(=CC=C2)NC(=O)CCSC3=NN=C(N3N)C4=CN=CC=C4

InChI

InChI=1S/C20H21N7O2S/c21-27-19(14-4-2-9-22-13-14)24-25-20(27)30-11-8-17(28)23-15-5-1-6-16(12-15)26-10-3-7-18(26)29/h1-2,4-6,9,12-13H,3,7-8,10-11,21H2,(H,23,28)