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

Systemtic Name: 3-(4-nitrophenyl)-2-(phenylmethylsulfanyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Openeye Name: 2-benzylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one CAS Name: 3-(4-nitrophenyl)-2-(phenylmethylthio)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one IUPAC Name: 2-benzylsulfanyl-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Traditional Name: 2-(benzylthio)-3-(4-nitrophenyl)-6,7-dihydrothieno[3,2-d]pyrimidin-4-one Formula: C19H15N3O3S2 MolecularWeight: 397.4707

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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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C19H15N3O3S2/c23-18-17-16(10-11-26-17)20-19(27-12-13-4-2-1-3-5-13)21(18)14-6-8-15(9-7-14)22(24)25/h1-9H,10-12H2