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

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-phenylsulfanyl-propanamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-phenylsulfanyl-propanamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-2-(phenylthio)propanamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-2-phenylsulfanylpropanamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-2-(phenylthio)propionamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=CC=C2)SC3=CC=CC=C3

Isomeric SMILES

CC(C(=O)NCCCC1=NN(C(=C1C#N)N)C2=CC=CC=C2)SC3=CC=CC=C3

InChI

InChI=1S/C22H23N5OS/c1-16(29-18-11-6-3-7-12-18)22(28)25-14-8-13-20-19(15-23)21(24)27(26-20)17-9-4-2-5-10-17/h2-7,9-12,16H,8,13-14,24H2,1H3,(H,25,28)