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

Systemtic Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(1-butyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[(1-butyl-4,5-diphenyl-2-imidazolyl)thio]ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(1-butyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[(1-butyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-4-methyl-3-nitro-benzamide Formula: C29H30N4O3S MolecularWeight: 514.6385

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N=C1SCCNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCCCN1C(=C(N=C1SCCNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C29H30N4O3S/c1-3-4-18-32-27(23-13-9-6-10-14-23)26(22-11-7-5-8-12-22)31-29(32)37-19-17-30-28(34)24-16-15-21(2)25(20-24)33(35)36/h5-16,20H,3-4,17-19H2,1-2H3,(H,30,34)