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

Systemtic Name: 6-methyl-2-[2-(4-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 6-methyl-2-[2-(4-nitrophenyl)-2-oxo-ethyl]sulfanyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 6-methyl-2-[[2-(4-nitrophenyl)-2-oxoethyl]thio]-3,5-diphenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 6-methyl-2-[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl-3,5-diphenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-keto-2-(4-nitrophenyl)ethyl]thio]-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Formula: C27H19N3O4S2 MolecularWeight: 513.58746

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)C4=CC=C(C=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C27H19N3O4S2/c1-17-23(19-8-4-2-5-9-19)24-25(36-17)28-27(29(26(24)32)20-10-6-3-7-11-20)35-16-22(31)18-12-14-21(15-13-18)30(33)34/h2-15H,16H2,1H3