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

Systemtic Name: N-cyclohexyl-N-ethyl-2-[[5-(furan-2-yl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethyl-acetamide CAS Name: N-cyclohexyl-N-ethyl-2-[[5-(2-furanyl)-4-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-benzyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-N-ethylacetamide Traditional Name: 2-[[4-benzyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-N-ethyl-acetamide Formula: C23H28N4O2S MolecularWeight: 424.55902

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1CCCCC1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4

Isomeric SMILES

CCN(C1CCCCC1)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CO4

InChI

InChI=1S/C23H28N4O2S/c1-2-26(19-12-7-4-8-13-19)21(28)17-30-23-25-24-22(20-14-9-15-29-20)27(23)16-18-10-5-3-6-11-18/h3,5-6,9-11,14-15,19H,2,4,7-8,12-13,16-17H2,1H3