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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropyl-propanamide CAS Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-N-cyclopropylpropanamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-cyclopropylpropanamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-N-cyclopropyl-propionamide Formula: C20H27ClN4OS MolecularWeight: 406.97258

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN1C(=NN=C1SC(C)C(=O)NC2CC2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CCCCCCN1C(=NN=C1SC(C)C(=O)NC2CC2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H27ClN4OS/c1-3-4-5-6-13-25-18(15-7-9-16(21)10-8-15)23-24-20(25)27-14(2)19(26)22-17-11-12-17/h7-10,14,17H,3-6,11-13H2,1-2H3,(H,22,26)