N-(4-bromophenyl)-4-[pyrimidin-2-yl(sulfanyl)methyl]benzamide

Systemtic Name: N-(4-bromophenyl)-4-[pyrimidin-2-yl(sulfanyl)methyl]benzamide Openeye Name: N-(4-bromophenyl)-4-[pyrimidin-2-yl(sulfanyl)methyl]benzamide CAS Name: N-(4-bromophenyl)-4-[mercapto(2-pyrimidinyl)methyl]benzamide IUPAC Name: N-(4-bromophenyl)-4-[pyrimidin-2-yl(sulfanyl)methyl]benzamide Traditional Name: N-(4-bromophenyl)-4-[mercapto(2-pyrimidyl)methyl]benzamide Formula: C18H14BrN3OS MolecularWeight: 400.29226

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)C(C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br)S

Isomeric SMILES

C1=CN=C(N=C1)C(C2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)Br)S

InChI

InChI=1S/C18H14BrN3OS/c19-14-6-8-15(9-7-14)22-18(23)13-4-2-12(3-5-13)16(24)17-20-10-1-11-21-17/h1-11,16,24H,(H,22,23)