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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H30N4O3S/c1-3-32-27(23-14-8-5-9-15-23)26(22-12-6-4-7-13-22)31-29(32)37-19-11-10-18-30-28(34)24-17-16-21(2)25(20-24)33(35)36/h4-9,12-17,20H,3,10-11,18-19H2,1-2H3,(H,30,34)