2-(diphenylmethyl)sulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one

Systemtic Name: 2-(diphenylmethyl)sulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 2-benzhydrylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 2-[(diphenylmethyl)thio]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-benzhydrylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(benzhydrylthio)-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C25H19N3O3S2 MolecularWeight: 473.56666

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])SC(C4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C25H19N3O3S2/c29-24-23-21(15-16-32-23)26-25(27(24)19-11-13-20(14-12-19)28(30)31)33-22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-14,22H,15-16H2