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

Systemtic Name: N-(4-bromophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide Openeye Name: N-(4-bromophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanyl-benzamide CAS Name: N-(4-bromophenyl)-2-[(5,6-dimethyl-4-thieno[2,3-d]pyrimidinyl)thio]benzamide IUPAC Name: N-(4-bromophenyl)-2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylbenzamide Traditional Name: N-(4-bromophenyl)-2-[(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)thio]benzamide Formula: C21H16BrN3OS2 MolecularWeight: 470.40524

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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)Br)C

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrN3OS2/c1-12-13(2)27-20-18(12)21(24-11-23-20)28-17-6-4-3-5-16(17)19(26)25-15-9-7-14(22)8-10-15/h3-11H,1-2H3,(H,25,26)