N-(4-butylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanyl-ethanamide

Systemtic Name: N-(4-butylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanyl-ethanamide Openeye Name: N-(4-butylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanyl-acetamide CAS Name: N-(4-butylphenyl)-2-[(6-methyl-4-pyrimidinyl)thio]acetamide IUPAC Name: N-(4-butylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylacetamide Traditional Name: N-(4-butylphenyl)-2-[(6-methylpyrimidin-4-yl)thio]acetamide Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)C

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NC=NC(=C2)C

InChI

InChI=1S/C17H21N3OS/c1-3-4-5-14-6-8-15(9-7-14)20-16(21)11-22-17-10-13(2)18-12-19-17/h6-10,12H,3-5,11H2,1-2H3,(H,20,21)