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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O4S/c1-32-20-12-10-17(11-13-20)24-21(29)15-33-23-26-25-22(27(23)18-7-3-2-4-8-18)16-6-5-9-19(14-16)28(30)31/h5-6,9-14,18H,2-4,7-8,15H2,1H3,(H,24,29)