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

Systemtic Name: 4-methyl-3-nitro-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide Openeye Name: 4-methyl-3-nitro-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide CAS Name: 4-methyl-3-nitro-N-[4-[(1,4,5-triphenyl-2-imidazolyl)thio]butyl]benzamide IUPAC Name: 4-methyl-3-nitro-N-[4-(1,4,5-triphenylimidazol-2-yl)sulfanylbutyl]benzamide Traditional Name: 4-methyl-3-nitro-N-[4-[(1,4,5-triphenylimidazol-2-yl)thio]butyl]benzamide Formula: C33H30N4O3S MolecularWeight: 562.6813

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCCCSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCCCSC2=NC(=C(N2C3=CC=CC=C3)C4=CC=CC=C4)C5=CC=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C33H30N4O3S/c1-24-19-20-27(23-29(24)37(39)40)32(38)34-21-11-12-22-41-33-35-30(25-13-5-2-6-14-25)31(26-15-7-3-8-16-26)36(33)28-17-9-4-10-18-28/h2-10,13-20,23H,11-12,21-22H2,1H3,(H,34,38)