2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-6-methyl-3,5-diphenyl-4-thieno[2,3-d]pyrimidinone IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-6-methyl-3,5-diphenylthieno[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-6-methyl-3,5-diphenyl-thieno[2,3-d]pyrimidin-4-one Formula: C28H20N2O4S2 MolecularWeight: 512.5994

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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=CC5=C(C=C4)OCO5)C6=CC=CC=C6

Isomeric SMILES

CC1=C(C2=C(S1)N=C(N(C2=O)C3=CC=CC=C3)SCC(=O)C4=CC5=C(C=C4)OCO5)C6=CC=CC=C6

InChI

InChI=1S/C28H20N2O4S2/c1-17-24(18-8-4-2-5-9-18)25-26(36-17)29-28(30(27(25)32)20-10-6-3-7-11-20)35-15-21(31)19-12-13-22-23(14-19)34-16-33-22/h2-14H,15-16H2,1H3