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

Systemtic Name: 3-ethyl-5,6-dimethyl-2-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 3-ethyl-5,6-dimethyl-2-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 3-ethyl-5,6-dimethyl-2-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-4-thieno[2,3-d]pyrimidinone IUPAC Name: 3-ethyl-5,6-dimethyl-2-[2-(3-nitrophenyl)-2-oxoethyl]sulfanylthieno[2,3-d]pyrimidin-4-one Traditional Name: 3-ethyl-2-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-5,6-dimethyl-thieno[2,3-d]pyrimidin-4-one Formula: C18H17N3O4S2 MolecularWeight: 403.47528

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])SC(=C2C)C

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)C3=CC(=CC=C3)[N+](=O)[O-])SC(=C2C)C

InChI

InChI=1S/C18H17N3O4S2/c1-4-20-17(23)15-10(2)11(3)27-16(15)19-18(20)26-9-14(22)12-6-5-7-13(8-12)21(24)25/h5-8H,4,9H2,1-3H3