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

Systemtic Name: 2-[[4-azanyl-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-ethanamide Openeye Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexyl-acetamide CAS Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexylacetamide IUPAC Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylacetamide Traditional Name: 2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-cyclohexyl-acetamide Formula: C16H20ClN5OS MolecularWeight: 365.8809

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C16H20ClN5OS/c17-12-8-6-11(7-9-12)15-20-21-16(22(15)18)24-10-14(23)19-13-4-2-1-3-5-13/h6-9,13H,1-5,10,18H2,(H,19,23)