5-bromanyl-2-(phenylmethylsulfanyl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide

Systemtic Name: 5-bromanyl-2-(phenylmethylsulfanyl)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-5-bromo-N-(4-phenyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide CAS Name: 5-bromo-2-(phenylmethylthio)-N-(4-phenyl-1,2,5-oxadiazol-3-yl)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-5-bromo-N-(4-phenyl-1,2,5-oxadiazol-3-yl)pyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-5-bromo-N-(4-phenylfurazan-3-yl)pyrimidine-4-carboxamide Formula: C20H14BrN5O2S MolecularWeight: 468.32646

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NON=C3C4=CC=CC=C4)Br

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=NON=C3C4=CC=CC=C4)Br

InChI

InChI=1S/C20H14BrN5O2S/c21-15-11-22-20(29-12-13-7-3-1-4-8-13)23-17(15)19(27)24-18-16(25-28-26-18)14-9-5-2-6-10-14/h1-11H,12H2,(H,24,26,27)