1-(3-chloranyl-2-methyl-phenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole

Systemtic Name: 1-(3-chloranyl-2-methyl-phenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole Openeye Name: 1-(3-chloro-2-methyl-phenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole CAS Name: 1-(3-chloro-2-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]imidazole IUPAC Name: 1-(3-chloro-2-methylphenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]imidazole Traditional Name: 1-(3-chloro-2-methyl-phenyl)-2-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]imidazole Formula: C19H16ClN3O4S MolecularWeight: 417.86604

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

Isomeric SMILES

CC1=C(C=CC=C1Cl)N2C=CN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4

InChI

InChI=1S/C19H16ClN3O4S/c1-12-16(20)3-2-4-17(12)22-6-5-21-19(22)28-10-14-8-15(23(24)25)7-13-9-26-11-27-18(13)14/h2-8H,9-11H2,1H3