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

Systemtic Name: N-(4-bromophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide Openeye Name: N-(4-bromophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanyl-butanamide CAS Name: N-(4-bromophenyl)-2-[(6-phenyl-4-pyrimidinyl)thio]butanamide IUPAC Name: N-(4-bromophenyl)-2-(6-phenylpyrimidin-4-yl)sulfanylbutanamide Traditional Name: N-(4-bromophenyl)-2-[(6-phenylpyrimidin-4-yl)thio]butyramide Formula: C20H18BrN3OS MolecularWeight: 428.34542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18BrN3OS/c1-2-18(20(25)24-16-10-8-15(21)9-11-16)26-19-12-17(22-13-23-19)14-6-4-3-5-7-14/h3-13,18H,2H2,1H3,(H,24,25)