2-[(4-chloranyl-3-nitro-phenyl)methylsulfanyl]pyrimidine

Systemtic Name: 2-[(4-chloranyl-3-nitro-phenyl)methylsulfanyl]pyrimidine Openeye Name: 2-[(4-chloro-3-nitro-phenyl)methylsulfanyl]pyrimidine CAS Name: 2-[(4-chloro-3-nitrophenyl)methylthio]pyrimidine IUPAC Name: 2-[(4-chloro-3-nitrophenyl)methylsulfanyl]pyrimidine Traditional Name: 2-[(4-chloro-3-nitro-benzyl)thio]pyrimidine Formula: C11H8ClN3O2S MolecularWeight: 281.71812

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN=C(N=C1)SCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

C1=CN=C(N=C1)SCC2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C11H8ClN3O2S/c12-9-3-2-8(6-10(9)15(16)17)7-18-11-13-4-1-5-14-11/h1-6H,7H2