N-(4-cyanophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide

Systemtic Name: N-(4-cyanophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide Openeye Name: N-(4-cyanophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide CAS Name: N-(4-cyanophenyl)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzamide IUPAC Name: N-(4-cyanophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzamide Traditional Name: N-(4-cyanophenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]benzamide Formula: C22H16N4OS2 MolecularWeight: 416.51864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C#N)C

Isomeric SMILES

CC1=C(SC2=C1C(=NC=N2)SC3=CC=CC=C3C(=O)NC4=CC=C(C=C4)C#N)C

InChI

InChI=1S/C22H16N4OS2/c1-13-14(2)28-21-19(13)22(25-12-24-21)29-18-6-4-3-5-17(18)20(27)26-16-9-7-15(11-23)8-10-16/h3-10,12H,1-2H3,(H,26,27)