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

Systemtic Name: N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-3,5-dinitro-benzamide Openeye Name: N-[4-[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]sulfanylbutyl]-3,5-dinitro-benzamide CAS Name: N-[4-[[1-ethyl-4,5-bis(4-methylphenyl)-2-imidazolyl]thio]butyl]-3,5-dinitrobenzamide IUPAC Name: N-[4-[1-ethyl-4,5-bis(4-methylphenyl)imidazol-2-yl]sulfanylbutyl]-3,5-dinitrobenzamide Traditional Name: N-[4-[[1-ethyl-4,5-bis(p-tolyl)imidazol-2-yl]thio]butyl]-3,5-dinitro-benzamide Formula: C30H31N5O5S MolecularWeight: 573.66264

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C30H31N5O5S/c1-4-33-28(23-13-9-21(3)10-14-23)27(22-11-7-20(2)8-12-22)32-30(33)41-16-6-5-15-31-29(36)24-17-25(34(37)38)19-26(18-24)35(39)40/h7-14,17-19H,4-6,15-16H2,1-3H3,(H,31,36)