3-[[5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[[5-(4-methylphenyl)-4-oxidanylidene-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[[4-oxo-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]pentane-2,4-dione CAS Name: 3-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]thio]pentane-2,4-dione IUPAC Name: 3-[[5-(4-methylphenyl)-4-oxo-3H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl]pentane-2,4-dione Traditional Name: 3-[[4-keto-5-(p-tolyl)-3H-thieno[2,3-d]pyrimidin-2-yl]thio]pentane-2,4-dione Formula: C18H16N2O3S2 MolecularWeight: 372.46124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SC(C(=O)C)C(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=CSC3=C2C(=O)NC(=N3)SC(C(=O)C)C(=O)C

InChI

InChI=1S/C18H16N2O3S2/c1-9-4-6-12(7-5-9)13-8-24-17-14(13)16(23)19-18(20-17)25-15(10(2)21)11(3)22/h4-8,15H,1-3H3,(H,19,20,23)