N-(3-chloranyl-4-methyl-phenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide

Systemtic Name: N-(3-chloranyl-4-methyl-phenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-ethanamide Openeye Name: N-(3-chloro-4-methyl-phenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanyl-acetamide CAS Name: N-(3-chloro-4-methylphenyl)-2-phenyl-2-(4-thieno[2,3-d]pyrimidinylthio)acetamide IUPAC Name: N-(3-chloro-4-methylphenyl)-2-phenyl-2-thieno[2,3-d]pyrimidin-4-ylsulfanylacetamide Traditional Name: N-(3-chloro-4-methyl-phenyl)-2-phenyl-2-(thieno[2,3-d]pyrimidin-4-ylthio)acetamide Formula: C21H16ClN3OS2 MolecularWeight: 425.95424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3C=CS4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C2=CC=CC=C2)SC3=NC=NC4=C3C=CS4)Cl

InChI

InChI=1S/C21H16ClN3OS2/c1-13-7-8-15(11-17(13)22)25-19(26)18(14-5-3-2-4-6-14)28-21-16-9-10-27-20(16)23-12-24-21/h2-12,18H,1H3,(H,25,26)