4-[(5-chloranyl-2-propoxy-phenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole

Systemtic Name: 4-[(5-chloranyl-2-propoxy-phenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole Openeye Name: 4-[(5-chloro-2-propoxy-phenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole CAS Name: 4-[(5-chloro-2-propoxyphenyl)methylthio]-2-methyl-5-nitro-1H-imidazole IUPAC Name: 4-[(5-chloro-2-propoxyphenyl)methylsulfanyl]-2-methyl-5-nitro-1H-imidazole Traditional Name: 4-[(5-chloro-2-propoxy-benzyl)thio]-2-methyl-5-nitro-1H-imidazole Formula: C14H16ClN3O3S MolecularWeight: 341.81314

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)Cl)CSC2=C(NC(=N2)C)[N+](=O)[O-]

Isomeric SMILES

CCCOC1=C(C=C(C=C1)Cl)CSC2=C(NC(=N2)C)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN3O3S/c1-3-6-21-12-5-4-11(15)7-10(12)8-22-14-13(18(19)20)16-9(2)17-14/h4-5,7H,3,6,8H2,1-2H3,(H,16,17)