N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-3-methyl-benzamide

Systemtic Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-3-methyl-benzamide Openeye Name: N-(4-cyano-5-ethylsulfanyl-1-phenyl-pyrazol-3-yl)-3-methyl-benzamide CAS Name: N-[4-cyano-5-(ethylthio)-1-phenyl-3-pyrazolyl]-3-methylbenzamide IUPAC Name: N-(4-cyano-5-ethylsulfanyl-1-phenylpyrazol-3-yl)-3-methylbenzamide Traditional Name: N-[4-cyano-5-(ethylthio)-1-phenyl-pyrazol-3-yl]-3-methyl-benzamide Formula: C20H18N4OS MolecularWeight: 362.44812

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)C)C#N

Isomeric SMILES

CCSC1=C(C(=NN1C2=CC=CC=C2)NC(=O)C3=CC(=CC=C3)C)C#N

InChI

InChI=1S/C20H18N4OS/c1-3-26-20-17(13-21)18(23-24(20)16-10-5-4-6-11-16)22-19(25)15-9-7-8-14(2)12-15/h4-12H,3H2,1-2H3,(H,22,23,25)