N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-3-phenyl-propanamide

Systemtic Name: N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]-3-phenyl-propanamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-3-phenyl-propanamide CAS Name: N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]-3-phenylpropanamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-3-phenylpropanamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-3-phenyl-propionamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C#N

Isomeric SMILES

C1=CC=C(C=C1)CCC(=O)NC2=C(C(=NN2)SCC3=CC=CC=C3)C#N

InChI

InChI=1S/C20H18N4OS/c21-13-17-19(22-18(25)12-11-15-7-3-1-4-8-15)23-24-20(17)26-14-16-9-5-2-6-10-16/h1-10H,11-12,14H2,(H2,22,23,24,25)