2-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-ethyl-amino]-N-propan-2-yl-ethanamide

Systemtic Name: 2-[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoyl-ethyl-amino]-N-propan-2-yl-ethanamide Openeye Name: 2-[[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethyl-amino]-N-isopropyl-acetamide CAS Name: 2-[[2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]-1-oxoethyl]-ethylamino]-N-propan-2-ylacetamide IUPAC Name: 2-[[2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]-ethylamino]-N-propan-2-ylacetamide Traditional Name: 2-[[2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetyl]-ethyl-amino]-N-isopropyl-acetamide Formula: C21H31N5O3S MolecularWeight: 433.56754

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC(=O)NC(C)C)C(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CO3

Isomeric SMILES

CCN(CC(=O)NC(C)C)C(=O)CSC1=NN=C(N1C2CCCCC2)C3=CC=CO3

InChI

InChI=1S/C21H31N5O3S/c1-4-25(13-18(27)22-15(2)3)19(28)14-30-21-24-23-20(17-11-8-12-29-17)26(21)16-9-6-5-7-10-16/h8,11-12,15-16H,4-7,9-10,13-14H2,1-3H3,(H,22,27)