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

Systemtic Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)ethanamide Openeye Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitro-phenyl)acetamide CAS Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-nitrophenyl)acetamide IUPAC Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-methoxy-5-nitrophenyl)acetamide Traditional Name: 2-[(4-cyclohexyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-(2-methoxy-5-nitro-phenyl)acetamide Formula: C23H25N5O4S MolecularWeight: 467.5407

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4S/c1-32-20-13-12-18(28(30)31)14-19(20)24-21(29)15-33-23-26-25-22(16-8-4-2-5-9-16)27(23)17-10-6-3-7-11-17/h2,4-5,8-9,12-14,17H,3,6-7,10-11,15H2,1H3,(H,24,29)