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

Systemtic Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxy-3-nitro-phenyl)methyl]ethanamide Openeye Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxy-3-nitro-phenyl)methyl]acetamide CAS Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide IUPAC Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methoxy-3-nitrophenyl)methyl]acetamide Traditional Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(4-methoxy-3-nitro-benzyl)acetamide Formula: C24H27N5O4S MolecularWeight: 481.56728

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)CNC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N5O4S/c1-33-21-13-12-17(14-20(21)29(31)32)15-25-22(30)16-34-24-27-26-23(18-8-4-2-5-9-18)28(24)19-10-6-3-7-11-19/h2,4-5,8-9,12-14,19H,3,6-7,10-11,15-16H2,1H3,(H,25,30)