2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]ethanamide

Systemtic Name: 2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-N-[4-chloranyl-1-(phenylmethyl)pyrazol-3-yl]ethanamide Openeye Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanyl-acetamide CAS Name: 2-[[4-(4-bromophenyl)-2-pyrimidinyl]thio]-N-[4-chloro-1-(phenylmethyl)-3-pyrazolyl]acetamide IUPAC Name: N-(1-benzyl-4-chloropyrazol-3-yl)-2-[4-(4-bromophenyl)pyrimidin-2-yl]sulfanylacetamide Traditional Name: N-(1-benzyl-4-chloro-pyrazol-3-yl)-2-[[4-(4-bromophenyl)pyrimidin-2-yl]thio]acetamide Formula: C22H17BrClN5OS MolecularWeight: 514.82528

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)CSC3=NC=CC(=N3)C4=CC=C(C=C4)Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)CN2C=C(C(=N2)NC(=O)CSC3=NC=CC(=N3)C4=CC=C(C=C4)Br)Cl

InChI

InChI=1S/C22H17BrClN5OS/c23-17-8-6-16(7-9-17)19-10-11-25-22(26-19)31-14-20(30)27-21-18(24)13-29(28-21)12-15-4-2-1-3-5-15/h1-11,13H,12,14H2,(H,27,28,30)