1-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propan-1-one

Systemtic Name: 1-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propan-1-one Openeye Name: 1-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-propan-1-one CAS Name: 1-(4-ethylphenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]-1-propanone IUPAC Name: 1-(4-ethylphenyl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylpropan-1-one Traditional Name: 1-(4-ethylphenyl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]propan-1-one Formula: C25H23N3O4S MolecularWeight: 461.53282

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)SC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H23N3O4S/c1-4-17-9-11-18(12-10-17)24(29)16(2)33-25-26-20-15-19(28(30)31)13-14-21(20)27(25)22-7-5-6-8-23(22)32-3/h5-16H,4H2,1-3H3