2-chloranyl-N-[4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylbutyl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylbutyl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[4-(4,5-diphenyl-1-propyl-imidazol-2-yl)sulfanylbutyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[4-[(4,5-diphenyl-1-propyl-2-imidazolyl)thio]butyl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[4-(4,5-diphenyl-1-propylimidazol-2-yl)sulfanylbutyl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[4-[(4,5-diphenyl-1-propyl-imidazol-2-yl)thio]butyl]-4-nitro-benzamide Formula: C29H29ClN4O3S MolecularWeight: 549.08356

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(N=C1SCCCCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCN1C(=C(N=C1SCCCCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H29ClN4O3S/c1-2-18-33-27(22-13-7-4-8-14-22)26(21-11-5-3-6-12-21)32-29(33)38-19-10-9-17-31-28(35)24-16-15-23(34(36)37)20-25(24)30/h3-8,11-16,20H,2,9-10,17-19H2,1H3,(H,31,35)