3-(4-phenylsulfanylphenyl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one

Systemtic Name: 3-(4-phenylsulfanylphenyl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one Openeye Name: 3-(4-phenylsulfanylphenyl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one CAS Name: 3-[4-(phenylthio)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one IUPAC Name: 3-(4-phenylsulfanylphenyl)-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one Traditional Name: 3-[4-(phenylthio)phenyl]-5,6,7,8-tetrahydro-1H-pyrazolo[5,1-b]quinazolin-9-one Formula: C22H19N3OS MolecularWeight: 373.47076

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=O)N3C(=N2)C(=CN3)C4=CC=C(C=C4)SC5=CC=CC=C5

Isomeric SMILES

C1CCC2=C(C1)C(=O)N3C(=N2)C(=CN3)C4=CC=C(C=C4)SC5=CC=CC=C5

InChI

InChI=1S/C22H19N3OS/c26-22-18-8-4-5-9-20(18)24-21-19(14-23-25(21)22)15-10-12-17(13-11-15)27-16-6-2-1-3-7-16/h1-3,6-7,10-14,23H,4-5,8-9H2