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

Systemtic Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)ethanamide Openeye Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(2-furylmethyl)acetamide CAS Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(2-furanylmethyl)acetamide IUPAC Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]sulfanyl]-N-(furan-2-ylmethyl)acetamide Traditional Name: 2-[[5-(4-bromophenyl)-4-cyclohexyl-1,2,4-triazol-3-yl]thio]-N-(2-furfuryl)acetamide Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)NCC3=CC=CO3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H23BrN4O2S/c22-16-10-8-15(9-11-16)20-24-25-21(26(20)17-5-2-1-3-6-17)29-14-19(27)23-13-18-7-4-12-28-18/h4,7-12,17H,1-3,5-6,13-14H2,(H,23,27)