N-[2-[4,5-bis(4-methoxyphenyl)-1-methyl-imidazol-2-yl]sulfanylethyl]-3-nitro-benzamide

Systemtic Name: N-[2-[4,5-bis(4-methoxyphenyl)-1-methyl-imidazol-2-yl]sulfanylethyl]-3-nitro-benzamide Openeye Name: N-[2-[4,5-bis(4-methoxyphenyl)-1-methyl-imidazol-2-yl]sulfanylethyl]-3-nitro-benzamide CAS Name: N-[2-[[4,5-bis(4-methoxyphenyl)-1-methyl-2-imidazolyl]thio]ethyl]-3-nitrobenzamide IUPAC Name: N-[2-[4,5-bis(4-methoxyphenyl)-1-methylimidazol-2-yl]sulfanylethyl]-3-nitrobenzamide Traditional Name: N-[2-[[4,5-bis(4-methoxyphenyl)-1-methyl-imidazol-2-yl]thio]ethyl]-3-nitro-benzamide Formula: C27H26N4O5S MolecularWeight: 518.58414

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(N=C1SCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

Isomeric SMILES

CN1C(=C(N=C1SCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)OC)C4=CC=C(C=C4)OC

InChI

InChI=1S/C27H26N4O5S/c1-30-25(19-9-13-23(36-3)14-10-19)24(18-7-11-22(35-2)12-8-18)29-27(30)37-16-15-28-26(32)20-5-4-6-21(17-20)31(33)34/h4-14,17H,15-16H2,1-3H3,(H,28,32)