N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(methylsulfanylmethyl)benzamide

Systemtic Name: N-[3-(5-azanyl-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(methylsulfanylmethyl)benzamide Openeye Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-(methylsulfanylmethyl)benzamide CAS Name: N-[3-(5-amino-4-cyano-1-phenyl-3-pyrazolyl)propyl]-3-[(methylthio)methyl]benzamide IUPAC Name: N-[3-(5-amino-4-cyano-1-phenylpyrazol-3-yl)propyl]-3-(methylsulfanylmethyl)benzamide Traditional Name: N-[3-(5-amino-4-cyano-1-phenyl-pyrazol-3-yl)propyl]-3-[(methylthio)methyl]benzamide Formula: C22H23N5OS MolecularWeight: 405.51592

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Descriptors Computed from Structure

Canonical SMILES:

CSCC1=CC=CC(=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

Isomeric SMILES

CSCC1=CC=CC(=C1)C(=O)NCCCC2=NN(C(=C2C#N)N)C3=CC=CC=C3

InChI

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