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

Systemtic Name: N-(4-bromophenyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(4-bromophenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(4-bromophenyl)-2-[[4-cyclohexyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(4-bromophenyl)-2-[[4-cyclohexyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(4-bromophenyl)-2-[[4-cyclohexyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C20H21BrN4O2S MolecularWeight: 461.37534

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CO4

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NC3=CC=C(C=C3)Br)C4=CC=CO4

InChI

InChI=1S/C20H21BrN4O2S/c21-14-8-10-15(11-9-14)22-18(26)13-28-20-24-23-19(17-7-4-12-27-17)25(20)16-5-2-1-3-6-16/h4,7-12,16H,1-3,5-6,13H2,(H,22,26)