N-[3,5-bis(chloranyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-[3,5-bis(chloranyl)phenyl]-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(3,5-dichlorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(3,5-dichlorophenyl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(3,5-dichlorophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(3,5-dichlorophenyl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C20H17Cl2N3OS MolecularWeight: 418.33948

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCC(C(=O)NC1=CC(=CC(=C1)Cl)Cl)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C20H17Cl2N3OS/c1-2-18(20(26)25-16-9-14(21)8-15(22)10-16)27-19-11-17(23-12-24-19)13-6-4-3-5-7-13/h3-12,18H,2H2,1H3,(H,25,26)