3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide

Systemtic Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[4-cyclohexyl-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]thio]propionamide Formula: C17H20Cl2N4OS MolecularWeight: 399.3379

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCC(=O)N)C3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCC(=O)N)C3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C17H20Cl2N4OS/c18-11-6-7-13(14(19)10-11)16-21-22-17(25-9-8-15(20)24)23(16)12-4-2-1-3-5-12/h6-7,10,12H,1-5,8-9H2,(H2,20,24)