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

Systemtic Name: N-(2-cyanophenyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(2-cyanophenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(2-cyanophenyl)-2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(2-cyanophenyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(2-cyanophenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C#N)C4=CC=CO4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=CC=C3C#N)C4=CC=CO4

InChI

InChI=1S/C21H21N5O2S/c22-13-15-7-4-5-10-17(15)23-19(27)14-29-21-25-24-20(18-11-6-12-28-18)26(21)16-8-2-1-3-9-16/h4-7,10-12,16H,1-3,8-9,14H2,(H,23,27)