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

Systemtic Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylthio]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 3-(4-nitrophenyl)-2-[(4-nitrophenyl)methylsulfanyl]-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-[(4-nitrobenzyl)thio]-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C19H14N4O5S2 MolecularWeight: 442.46826

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Descriptors Computed from Structure

Canonical SMILES:

C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1CSC2=C1N=C(N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-])SCC4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H14N4O5S2/c24-18-17-16(9-10-29-17)20-19(21(18)13-5-7-15(8-6-13)23(27)28)30-11-12-1-3-14(4-2-12)22(25)26/h1-8H,9-11H2