3-[[5-(4-chlorophenyl)carbonylfuran-2-yl]methylsulfanyl]-4-cyclohexyl-1H-1,2,4-triazol-5-one

Systemtic Name: 3-[[5-(4-chlorophenyl)carbonylfuran-2-yl]methylsulfanyl]-4-cyclohexyl-1H-1,2,4-triazol-5-one Openeye Name: 3-[[5-(4-chlorobenzoyl)-2-furyl]methylsulfanyl]-4-cyclohexyl-1H-1,2,4-triazol-5-one CAS Name: 3-[[5-[(4-chlorophenyl)-oxomethyl]-2-furanyl]methylthio]-4-cyclohexyl-1H-1,2,4-triazol-5-one IUPAC Name: 3-[[5-(4-chlorobenzoyl)furan-2-yl]methylsulfanyl]-4-cyclohexyl-1H-1,2,4-triazol-5-one Traditional Name: 3-[[5-(4-chlorobenzoyl)-2-furyl]methylthio]-4-cyclohexyl-1H-1,2,4-triazol-5-one Formula: C20H20ClN3O3S MolecularWeight: 417.9091

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=O)NN=C2SCC3=CC=C(O3)C(=O)C4=CC=C(C=C4)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=O)NN=C2SCC3=CC=C(O3)C(=O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C20H20ClN3O3S/c21-14-8-6-13(7-9-14)18(25)17-11-10-16(27-17)12-28-20-23-22-19(26)24(20)15-4-2-1-3-5-15/h6-11,15H,1-5,12H2,(H,22,26)