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

Systemtic Name: N-[3-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylpropyl]-3-nitro-benzamide Openeye Name: N-[3-[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]sulfanylpropyl]-3-nitro-benzamide CAS Name: N-[3-[[1-ethyl-4,5-bis(4-methylphenyl)-2-imidazolyl]thio]propyl]-3-nitrobenzamide IUPAC Name: N-[3-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylpropyl]-3-nitrobenzamide Traditional Name: N-[3-[[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]thio]propyl]-3-nitro-benzamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

Isomeric SMILES

CCN1C(=C(N=C1SCCCNC(=O)C2=CC(=CC=C2)[N+](=O)[O-])C3=CC=C(C=C3)C)C4=CC=C(C=C4)C

InChI

InChI=1S/C29H30N4O3S/c1-4-32-27(23-15-11-21(3)12-16-23)26(22-13-9-20(2)10-14-22)31-29(32)37-18-6-17-30-28(34)24-7-5-8-25(19-24)33(35)36/h5,7-16,19H,4,6,17-18H2,1-3H3,(H,30,34)