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

Systemtic Name: 2-[[4-azanyl-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-ethanamide Openeye Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptyl-acetamide CAS Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]thio]-N-cycloheptylacetamide IUPAC Name: 2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cycloheptylacetamide Traditional Name: 2-[[4-amino-5-(3-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=C3)Cl

Isomeric SMILES

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

InChI

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