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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethyl-propanamide CAS Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-N-ethylpropanamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-ethylpropanamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-N-ethyl-propionamide Formula: C19H27ClN4OS MolecularWeight: 394.96188

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SC(C)C(=O)NCC)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SC(C)C(=O)NCC)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H27ClN4OS/c1-4-6-7-8-13-24-17(15-9-11-16(20)12-10-15)22-23-19(24)26-14(3)18(25)21-5-2/h9-12,14H,4-8,13H2,1-3H3,(H,21,25)