N-(2-bromanyl-4-nitro-phenyl)-5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide

Systemtic Name: N-(2-bromanyl-4-nitro-phenyl)-5-chloranyl-2-(phenylmethylsulfanyl)pyrimidine-4-carboxamide Openeye Name: 2-benzylsulfanyl-N-(2-bromo-4-nitro-phenyl)-5-chloro-pyrimidine-4-carboxamide CAS Name: N-(2-bromo-4-nitrophenyl)-5-chloro-2-(phenylmethylthio)-4-pyrimidinecarboxamide IUPAC Name: 2-benzylsulfanyl-N-(2-bromo-4-nitrophenyl)-5-chloropyrimidine-4-carboxamide Traditional Name: 2-(benzylthio)-N-(2-bromo-4-nitro-phenyl)-5-chloro-pyrimidine-4-carboxamide Formula: C18H12BrClN4O3S MolecularWeight: 479.73488

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)Cl

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC=C(C(=N2)C(=O)NC3=C(C=C(C=C3)[N+](=O)[O-])Br)Cl

InChI

InChI=1S/C18H12BrClN4O3S/c19-13-8-12(24(26)27)6-7-15(13)22-17(25)16-14(20)9-21-18(23-16)28-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,22,25)