N-(4-cyanophenyl)-2-[[3-(2-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide

Systemtic Name: N-(4-cyanophenyl)-2-[[3-(2-methylphenyl)-4-oxidanylidene-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]ethanamide Openeye Name: N-(4-cyanophenyl)-2-[[3-(o-tolyl)-4-oxo-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide CAS Name: N-(4-cyanophenyl)-2-[[3-(2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]thio]acetamide IUPAC Name: N-(4-cyanophenyl)-2-[[3-(2-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide Traditional Name: N-(4-cyanophenyl)-2-[[4-keto-3-(o-tolyl)-5,6,7,8-tetrahydrobenzothiopheno[2,3-d]pyrimidin-2-yl]thio]acetamide Formula: C26H22N4O2S2 MolecularWeight: 486.60848

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)C#N)SC5=C3CCCC5

Isomeric SMILES

CC1=CC=CC=C1N2C(=O)C3=C(N=C2SCC(=O)NC4=CC=C(C=C4)C#N)SC5=C3CCCC5

InChI

InChI=1S/C26H22N4O2S2/c1-16-6-2-4-8-20(16)30-25(32)23-19-7-3-5-9-21(19)34-24(23)29-26(30)33-15-22(31)28-18-12-10-17(14-27)11-13-18/h2,4,6,8,10-13H,3,5,7,9,15H2,1H3,(H,28,31)