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

Systemtic Name: 4-chloranyl-N-[2-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[2-(1-ethyl-4,5-diphenyl-imidazol-2-yl)sulfanylethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[2-[(1-ethyl-4,5-diphenyl-2-imidazolyl)thio]ethyl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[2-(1-ethyl-4,5-diphenylimidazol-2-yl)sulfanylethyl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[2-[(1-ethyl-4,5-diphenyl-imidazol-2-yl)thio]ethyl]-3-nitro-benzamide Formula: C26H23ClN4O3S MolecularWeight: 507.00382

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H23ClN4O3S/c1-2-30-24(19-11-7-4-8-12-19)23(18-9-5-3-6-10-18)29-26(30)35-16-15-28-25(32)20-13-14-21(27)22(17-20)31(33)34/h3-14,17H,2,15-16H2,1H3,(H,28,32)