N-(5-chloranyl-2-methyl-phenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(5-chloranyl-2-methyl-phenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(5-chloro-2-methyl-phenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(5-chloro-2-methylphenyl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(5-chloro-2-methylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(5-chloro-2-methyl-phenyl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C21H20ClN3OS MolecularWeight: 397.921

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20ClN3OS/c1-3-19(21(26)25-17-11-16(22)10-9-14(17)2)27-20-12-18(23-13-24-20)15-7-5-4-6-8-15/h4-13,19H,3H2,1-2H3,(H,25,26)