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

Systemtic Name: 3-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide Openeye Name: 3-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitro-phenyl)propanamide CAS Name: 3-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitrophenyl)propanamide IUPAC Name: 3-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methoxy-2-nitrophenyl)propanamide Traditional Name: 3-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-(4-methoxy-2-nitro-phenyl)propionamide Formula: C22H25N5O5S MolecularWeight: 471.5294

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2C3CCCCC3)C4=CC=CO4)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=O)CCSC2=NN=C(N2C3CCCCC3)C4=CC=CO4)[N+](=O)[O-]

InChI

InChI=1S/C22H25N5O5S/c1-31-16-9-10-17(18(14-16)27(29)30)23-20(28)11-13-33-22-25-24-21(19-8-5-12-32-19)26(22)15-6-3-2-4-7-15/h5,8-10,12,14-15H,2-4,6-7,11,13H2,1H3,(H,23,28)