N-(2-tert-butylphenyl)-2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanyl-ethanamide

Systemtic Name: N-(2-tert-butylphenyl)-2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanyl-ethanamide Openeye Name: N-(2-tert-butylphenyl)-2-[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]sulfanyl-acetamide CAS Name: N-(2-tert-butylphenyl)-2-[[4-(3-nitrophenyl)-1-phenyl-2-imidazolyl]thio]acetamide IUPAC Name: N-(2-tert-butylphenyl)-2-[4-(3-nitrophenyl)-1-phenylimidazol-2-yl]sulfanylacetamide Traditional Name: N-(2-tert-butylphenyl)-2-[[4-(3-nitrophenyl)-1-phenyl-imidazol-2-yl]thio]acetamide Formula: C27H26N4O3S MolecularWeight: 486.58534

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC(=CN2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=CC=C1NC(=O)CSC2=NC(=CN2C3=CC=CC=C3)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

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