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

Systemtic Name: 2-(3-chloranyl-4-ethoxy-phenyl)-4-(phenylmethylsulfanyl)pyrazolo[1,5-a]pyrazine Openeye Name: 4-benzylsulfanyl-2-(3-chloro-4-ethoxy-phenyl)pyrazolo[1,5-a]pyrazine CAS Name: 2-(3-chloro-4-ethoxyphenyl)-4-(phenylmethylthio)pyrazolo[1,5-a]pyrazine IUPAC Name: 4-benzylsulfanyl-2-(3-chloro-4-ethoxyphenyl)pyrazolo[1,5-a]pyrazine Traditional Name: 4-(benzylthio)-2-(3-chloro-4-ethoxy-phenyl)pyrazolo[1,5-a]pyrazine Formula: C21H18ClN3OS MolecularWeight: 395.90512

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H18ClN3OS/c1-2-26-20-9-8-16(12-17(20)22)18-13-19-21(23-10-11-25(19)24-18)27-14-15-6-4-3-5-7-15/h3-13H,2,14H2,1H3