N-(4-butylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide

Systemtic Name: N-(4-butylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(4-butylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(4-butylphenyl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(4-butylphenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(4-butylphenyl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C24H27N3OS MolecularWeight: 405.55568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC=NC(=C2)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)C(CC)SC2=NC=NC(=C2)C3=CC=CC=C3

InChI

InChI=1S/C24H27N3OS/c1-3-5-9-18-12-14-20(15-13-18)27-24(28)22(4-2)29-23-16-21(25-17-26-23)19-10-7-6-8-11-19/h6-8,10-17,22H,3-5,9H2,1-2H3,(H,27,28)