6-chloranyl-5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 6-chloranyl-5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 6-chloro-5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 6-chloro-5-ethyl-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 6-chloro-5-ethyl-3-(4-phenylsulfanylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 6-chloro-5-ethyl-3-[4-(phenylthio)phenyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C20H16ClN3OS MolecularWeight: 381.87854

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4)Cl

Isomeric SMILES

CCC1=C(C(=O)N2C(=N1)C(=CN2)C3=CC=C(C=C3)SC4=CC=CC=C4)Cl

InChI

InChI=1S/C20H16ClN3OS/c1-2-17-18(21)20(25)24-19(23-17)16(12-22-24)13-8-10-15(11-9-13)26-14-6-4-3-5-7-14/h3-12,22H,2H2,1H3