2-(4-chloranylphenoxy)-N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]ethanamide

Systemtic Name: 2-(4-chloranylphenoxy)-N-[4-cyano-3-(phenylmethylsulfanyl)-1H-pyrazol-5-yl]ethanamide Openeye Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2-(4-chlorophenoxy)acetamide CAS Name: 2-(4-chlorophenoxy)-N-[4-cyano-3-(phenylmethylthio)-1H-pyrazol-5-yl]acetamide IUPAC Name: N-(3-benzylsulfanyl-4-cyano-1H-pyrazol-5-yl)-2-(4-chlorophenoxy)acetamide Traditional Name: N-[3-(benzylthio)-4-cyano-1H-pyrazol-5-yl]-2-(4-chlorophenoxy)acetamide Formula: C19H15ClN4O2S MolecularWeight: 398.866

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)COC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NNC(=C2C#N)NC(=O)COC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H15ClN4O2S/c20-14-6-8-15(9-7-14)26-11-17(25)22-18-16(10-21)19(24-23-18)27-12-13-4-2-1-3-5-13/h1-9H,11-12H2,(H2,22,23,24,25)