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

Systemtic Name: 2-[[4-azanyl-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-acetamide Formula: C17H22ClN5OS MolecularWeight: 379.90748

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl

Isomeric SMILES

C1CCCC(CC1)NC(=O)CSC2=NN=C(N2N)C3=CC=CC=C3Cl

InChI

InChI=1S/C17H22ClN5OS/c18-14-10-6-5-9-13(14)16-21-22-17(23(16)19)25-11-15(24)20-12-7-3-1-2-4-8-12/h5-6,9-10,12H,1-4,7-8,11,19H2,(H,20,24)