2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylcyclohexan-1-one

Systemtic Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylcyclohexan-1-one Openeye Name: 2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanylcyclohexanone CAS Name: 2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-cyclohexanone IUPAC Name: 2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylcyclohexan-1-one Traditional Name: 2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]cyclohexanone Formula: C20H19N3O4S MolecularWeight: 397.44756

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SC4CCCCC4=O

Isomeric SMILES

COC1=CC=CC=C1N2C3=C(C=C(C=C3)[N+](=O)[O-])N=C2SC4CCCCC4=O

InChI

InChI=1S/C20H19N3O4S/c1-27-18-8-4-2-6-16(18)22-15-11-10-13(23(25)26)12-14(15)21-20(22)28-19-9-5-3-7-17(19)24/h2,4,6,8,10-12,19H,3,5,7,9H2,1H3