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

Systemtic Name: N-[2-(4,5-diphenyl-1-propan-2-yl-imidazol-2-yl)sulfanylethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(1-isopropyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[(4,5-diphenyl-1-propan-2-yl-2-imidazolyl)thio]ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(4,5-diphenyl-1-propan-2-ylimidazol-2-yl)sulfanylethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[(1-isopropyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-4-methyl-3-nitro-benzamide Formula: C28H28N4O3S MolecularWeight: 500.61192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCCSC2=NC(=C(N2C(C)C)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCCSC2=NC(=C(N2C(C)C)C3=CC=CC=C3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O3S/c1-19(2)31-26(22-12-8-5-9-13-22)25(21-10-6-4-7-11-21)30-28(31)36-17-16-29-27(33)23-15-14-20(3)24(18-23)32(34)35/h4-15,18-19H,16-17H2,1-3H3,(H,29,33)