N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[4-[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]sulfanylbutyl]-4-methyl-3-nitro-benzamide CAS Name: N-[4-[[1-ethyl-4,5-bis(4-methylphenyl)-2-imidazolyl]thio]butyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[4-[[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]thio]butyl]-4-methyl-3-nitro-benzamide Formula: C31H34N4O3S MolecularWeight: 542.69166

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCCNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=C(N=C1SCCCCNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C31H34N4O3S/c1-5-34-29(25-15-10-22(3)11-16-25)28(24-13-8-21(2)9-14-24)33-31(34)39-19-7-6-18-32-30(36)26-17-12-23(4)27(20-26)35(37)38/h8-17,20H,5-7,18-19H2,1-4H3,(H,32,36)