N-(3-methylphenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(3-methylphenyl)-2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-butanamide Openeye Name: 2-(2-methyl-6-phenyl-pyrimidin-4-yl)sulfanyl-N-(m-tolyl)butanamide CAS Name: N-(3-methylphenyl)-2-[(2-methyl-6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(3-methylphenyl)-2-(2-methyl-6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: 2-[(2-methyl-6-phenyl-pyrimidin-4-yl)thio]-N-(m-tolyl)butyramide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N3OS/c1-4-20(22(26)25-18-12-8-9-15(2)13-18)27-21-14-19(23-16(3)24-21)17-10-6-5-7-11-17/h5-14,20H,4H2,1-3H3,(H,25,26)