3-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 3-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-methyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-methyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-6-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-methyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-6-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-3-methyl-6-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C21H15N3O4S2 MolecularWeight: 437.4915

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC(=C2)C4=CC=CC=C4

Isomeric SMILES

CN1C(=O)C2=C(N=C1SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])SC(=C2)C4=CC=CC=C4

InChI

InChI=1S/C21H15N3O4S2/c1-23-20(26)16-11-18(14-5-3-2-4-6-14)30-19(16)22-21(23)29-12-17(25)13-7-9-15(10-8-13)24(27)28/h2-11H,12H2,1H3