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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

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