2-(3-chloranyl-4-ethoxy-phenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine

Systemtic Name: 2-(3-chloranyl-4-ethoxy-phenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine Openeye Name: 2-(3-chloro-4-ethoxy-phenyl)-4-(m-tolylmethylsulfanyl)pyrazolo[1,5-a]pyrazine CAS Name: 2-(3-chloro-4-ethoxyphenyl)-4-[(3-methylphenyl)methylthio]pyrazolo[1,5-a]pyrazine IUPAC Name: 2-(3-chloro-4-ethoxyphenyl)-4-[(3-methylphenyl)methylsulfanyl]pyrazolo[1,5-a]pyrazine Traditional Name: 2-(3-chloro-4-ethoxy-phenyl)-4-[(3-methylbenzyl)thio]pyrazolo[1,5-a]pyrazine Formula: C22H20ClN3OS MolecularWeight: 409.9317

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=NN3C=CN=C(C3=C2)SCC4=CC=CC(=C4)C)Cl

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=NN3C=CN=C(C3=C2)SCC4=CC=CC(=C4)C)Cl

InChI

InChI=1S/C22H20ClN3OS/c1-3-27-21-8-7-17(12-18(21)23)19-13-20-22(24-9-10-26(20)25-19)28-14-16-6-4-5-15(2)11-16/h4-13H,3,14H2,1-2H3