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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SC(C)C(=O)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SC(C)C(=O)N)C2=CC=C(C=C2)Cl

InChI

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