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

Systemtic Name: 4-chloranyl-N-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[4-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylbutyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[4-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]butyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[4-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylbutyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[4-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]butyl]-3-nitro-benzamide Formula: C28H27ClN4O3S MolecularWeight: 535.05698

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H27ClN4O3S/c1-2-32-26(21-13-7-4-8-14-21)25(20-11-5-3-6-12-20)31-28(32)37-18-10-9-17-30-27(34)22-15-16-23(29)24(19-22)33(35)36/h3-8,11-16,19H,2,9-10,17-18H2,1H3,(H,30,34)