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

Systemtic Name: N-[2-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]ethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-4-methyl-3-nitro-benzamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C(N=C1SCCNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CCN1C(=C(N=C1SCCNC(=O)C2=CC(=C(C=C2)C)[N+](=O)[O-])C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H26N4O3S/c1-3-30-25(21-12-8-5-9-13-21)24(20-10-6-4-7-11-20)29-27(30)35-17-16-28-26(32)22-15-14-19(2)23(18-22)31(33)34/h4-15,18H,3,16-17H2,1-2H3,(H,28,32)