N-(2,5-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(2,5-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(2,5-dimethylphenyl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(2,5-dimethylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C22H23N3OS MolecularWeight: 377.50252

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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