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

Systemtic Name: N-(3-acetamidophenyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-acetamidophenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-acetamidophenyl)-2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-acetamidophenyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-acetamidophenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C22H25N5O3S MolecularWeight: 439.5306

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CO4

Isomeric SMILES

CC(=O)NC1=CC(=CC=C1)NC(=O)CSC2=NN=C(N2C3CCCCC3)C4=CC=CO4

InChI

InChI=1S/C22H25N5O3S/c1-15(28)23-16-7-5-8-17(13-16)24-20(29)14-31-22-26-25-21(19-11-6-12-30-19)27(22)18-9-3-2-4-10-18/h5-8,11-13,18H,2-4,9-10,14H2,1H3,(H,23,28)(H,24,29)