1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone Openeye Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]sulfanyl-ethanone CAS Name: 1-(2,5-dimethyl-1-propyl-3-pyrrolyl)-2-[[1-(2-methoxyphenyl)-5-nitro-2-benzimidazolyl]thio]ethanone IUPAC Name: 1-(2,5-dimethyl-1-propylpyrrol-3-yl)-2-[1-(2-methoxyphenyl)-5-nitrobenzimidazol-2-yl]sulfanylethanone Traditional Name: 1-(2,5-dimethyl-1-propyl-pyrrol-3-yl)-2-[[1-(2-methoxyphenyl)-5-nitro-benzimidazol-2-yl]thio]ethanone Formula: C25H26N4O4S MolecularWeight: 478.56334

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-])C

Isomeric SMILES

CCCN1C(=CC(=C1C)C(=O)CSC2=NC3=C(N2C4=CC=CC=C4OC)C=CC(=C3)[N+](=O)[O-])C

InChI

InChI=1S/C25H26N4O4S/c1-5-12-27-16(2)13-19(17(27)3)23(30)15-34-25-26-20-14-18(29(31)32)10-11-21(20)28(25)22-8-6-7-9-24(22)33-4/h6-11,13-14H,5,12,15H2,1-4H3