2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide

Systemtic Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide Openeye Name: 2-(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide CAS Name: 2-[(1-cyclohexyl-4,5-dimethyl-2-imidazolyl)thio]-N-(4-nitrophenyl)propanamide IUPAC Name: 2-(1-cyclohexyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(4-nitrophenyl)propanamide Traditional Name: 2-[(1-cyclohexyl-4,5-dimethyl-imidazol-2-yl)thio]-N-(4-nitrophenyl)propionamide Formula: C20H26N4O3S MolecularWeight: 402.51044

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3)C

Isomeric SMILES

CC1=C(N(C(=N1)SC(C)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-])C3CCCCC3)C

InChI

InChI=1S/C20H26N4O3S/c1-13-14(2)23(17-7-5-4-6-8-17)20(21-13)28-15(3)19(25)22-16-9-11-18(12-10-16)24(26)27/h9-12,15,17H,4-8H2,1-3H3,(H,22,25)