N-(3-methylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(3-methylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(m-tolyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(3-methylphenyl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(3-methylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(m-tolyl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C21H21N3OS MolecularWeight: 363.47594

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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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3OS/c1-3-19(21(25)24-17-11-7-8-15(2)12-17)26-20-13-18(22-14-23-20)16-9-5-4-6-10-16/h4-14,19H,3H2,1-2H3,(H,24,25)