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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-yl-propanamide Openeye Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-isopropyl-propanamide CAS Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-N-propan-2-ylpropanamide IUPAC Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]sulfanyl]-N-propan-2-ylpropanamide Traditional Name: 2-[[5-(4-chlorophenyl)-4-hexyl-1,2,4-triazol-3-yl]thio]-N-isopropyl-propionamide Formula: C20H29ClN4OS MolecularWeight: 408.98846

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H29ClN4OS/c1-5-6-7-8-13-25-18(16-9-11-17(21)12-10-16)23-24-20(25)27-15(4)19(26)22-14(2)3/h9-12,14-15H,5-8,13H2,1-4H3,(H,22,26)