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

Systemtic Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-2-chloranyl-4-nitro-benzamide Openeye Name: N-[3-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylpropyl]-2-chloro-4-nitro-benzamide CAS Name: N-[3-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]propyl]-2-chloro-4-nitrobenzamide IUPAC Name: N-[3-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylpropyl]-2-chloro-4-nitrobenzamide Traditional Name: N-[3-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]propyl]-2-chloro-4-nitro-benzamide Formula: C29H29ClN4O3S MolecularWeight: 549.08356

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCCNC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H29ClN4O3S/c1-2-3-18-33-27(22-13-8-5-9-14-22)26(21-11-6-4-7-12-21)32-29(33)38-19-10-17-31-28(35)24-16-15-23(34(36)37)20-25(24)30/h4-9,11-16,20H,2-3,10,17-19H2,1H3,(H,31,35)