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

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-methylsulfanyl-propanamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-methylsulfanyl-propanamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-2-(methylthio)propanamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-methylsulfanylpropanamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(methylthio)propionamide Formula: C17H21N5OS MolecularWeight: 343.44654

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=CC=C2)SC

Isomeric SMILES

CC(C(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=CC=C2)SC

InChI

InChI=1S/C17H21N5OS/c1-12(24-2)17(23)20-10-6-9-15-14(11-18)16(19)22(21-15)13-7-4-3-5-8-13/h3-5,7-8,12H,6,9-10,19H2,1-2H3,(H,20,23)