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

Systemtic Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide Openeye Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-propanamide CAS Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-cycloheptylpropanamide IUPAC Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylpropanamide Traditional Name: 2-[[5-(4-chlorophenyl)-1H-1,2,4-triazol-3-yl]thio]-N-cycloheptyl-propionamide Formula: C18H23ClN4OS MolecularWeight: 378.91942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCCCC1)SC2=NNC(=N2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)NC1CCCCCC1)SC2=NNC(=N2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H23ClN4OS/c1-12(17(24)20-15-6-4-2-3-5-7-15)25-18-21-16(22-23-18)13-8-10-14(19)11-9-13/h8-12,15H,2-7H2,1H3,(H,20,24)(H,21,22,23)