5,6-dimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 5,6-dimethyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 5,6-dimethyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 5,6-dimethyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-3-phenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 5,6-dimethyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-3-phenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-5,6-dimethyl-3-phenyl-thieno[2,3-d]pyrimidin-4-one Formula: C22H17N3O4S2 MolecularWeight: 451.51808

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(SC2=C1C(=O)N(C(=N2)SCC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=CC=C4)C

InChI

InChI=1S/C22H17N3O4S2/c1-13-14(2)31-20-19(13)21(27)24(16-6-4-3-5-7-16)22(23-20)30-12-18(26)15-8-10-17(11-9-15)25(28)29/h3-11H,12H2,1-2H3