2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodanyl-3-methyl-phenyl)ethanamide

Systemtic Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodanyl-3-methyl-phenyl)ethanamide Openeye Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-3-methyl-phenyl)acetamide CAS Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodo-3-methylphenyl)acetamide IUPAC Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-iodo-3-methylphenyl)acetamide Traditional Name: 2-[[4-cyclohexyl-5-(3-nitrophenyl)-1,2,4-triazol-3-yl]thio]-N-(4-iodo-3-methyl-phenyl)acetamide Formula: C23H24IN5O3S MolecularWeight: 577.43783

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])I

Isomeric SMILES

CC1=C(C=CC(=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC(=CC=C4)[N+](=O)[O-])I

InChI

InChI=1S/C23H24IN5O3S/c1-15-12-17(10-11-20(15)24)25-21(30)14-33-23-27-26-22(28(23)18-7-3-2-4-8-18)16-6-5-9-19(13-16)29(31)32/h5-6,9-13,18H,2-4,7-8,14H2,1H3,(H,25,30)