3-acetamido-N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-thiophen-2-yl-propanamide

Systemtic Name: 3-acetamido-N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-thiophen-2-yl-propanamide Openeye Name: 3-acetamido-N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(2-thienyl)propanamide CAS Name: 3-acetamido-N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-3-thiophen-2-ylpropanamide IUPAC Name: 3-acetamido-N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-thiophen-2-ylpropanamide Traditional Name: 3-acetamido-N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(2-thienyl)propionamide Formula: C22H24N6O2S MolecularWeight: 436.52996

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=CC=C2)C3=CC=CS3

Isomeric SMILES

CC(=O)NC(CC(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=CC=C2)C3=CC=CS3

InChI

InChI=1S/C22H24N6O2S/c1-15(29)26-19(20-10-6-12-31-20)13-21(30)25-11-5-9-18-17(14-23)22(24)28(27-18)16-7-3-2-4-8-16/h2-4,6-8,10,12,19H,5,9,11,13,24H2,1H3,(H,25,30)(H,26,29)