5-[1,1-bis(oxidanylidene)thian-4-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

Systemtic Name: 5-[1,1-bis(oxidanylidene)thian-4-yl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Openeye Name: 5-(1,1-dioxothian-4-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one CAS Name: 5-(1,1-dioxo-4-thianyl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one IUPAC Name: 5-(1,1-dioxothian-4-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Traditional Name: 5-(1,1-diketothian-4-yl)-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one Formula: C17H17N3O3S MolecularWeight: 343.40018

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Descriptors Computed from Structure

Canonical SMILES:

C1CS(=O)(=O)CCC1C2=CC(=O)N3C(=N2)C(=CN3)C4=CC=CC=C4

Isomeric SMILES

C1CS(=O)(=O)CCC1C2=CC(=O)N3C(=N2)C(=CN3)C4=CC=CC=C4

InChI

InChI=1S/C17H17N3O3S/c21-16-10-15(13-6-8-24(22,23)9-7-13)19-17-14(11-18-20(16)17)12-4-2-1-3-5-12/h1-5,10-11,13,18H,6-9H2