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

Systemtic Name: N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-3-nitro-benzamide Openeye Name: N-[4-[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]sulfanylbutyl]-3-nitro-benzamide CAS Name: N-[4-[[1-ethyl-4,5-bis(4-methylphenyl)-2-imidazolyl]thio]butyl]-3-nitrobenzamide IUPAC Name: N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-3-nitrobenzamide Traditional Name: N-[4-[[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]thio]butyl]-3-nitro-benzamide Formula: C30H32N4O3S MolecularWeight: 528.66508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H32N4O3S/c1-4-33-28(24-16-12-22(3)13-17-24)27(23-14-10-21(2)11-15-23)32-30(33)38-19-6-5-18-31-29(35)25-8-7-9-26(20-25)34(36)37/h7-17,20H,4-6,18-19H2,1-3H3,(H,31,35)