2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one

Systemtic Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]sulfanyl-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Openeye Name: 2-[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-oxo-ethyl]sulfanyl-3-ethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one CAS Name: 2-[[2-(2,5-dimethyl-1-phenyl-3-pyrrolyl)-2-oxoethyl]thio]-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one IUPAC Name: 2-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]sulfanyl-3-ethyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one Traditional Name: 2-[[2-(2,5-dimethyl-1-phenyl-pyrrol-3-yl)-2-keto-ethyl]thio]-3-ethyl-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-4-one Formula: C26H27N3O2S2 MolecularWeight: 477.64148

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=C(N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4)C)SC5=C2CCCC5

Isomeric SMILES

CCN1C(=O)C2=C(N=C1SCC(=O)C3=C(N(C(=C3)C)C4=CC=CC=C4)C)SC5=C2CCCC5

InChI

InChI=1S/C26H27N3O2S2/c1-4-28-25(31)23-19-12-8-9-13-22(19)33-24(23)27-26(28)32-15-21(30)20-14-16(2)29(17(20)3)18-10-6-5-7-11-18/h5-7,10-11,14H,4,8-9,12-13,15H2,1-3H3