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

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Openeye Name: 3-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: 3-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: 3-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]propanamide Traditional Name: 3-[[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=C1SCCC(=O)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCCC(=O)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H27ClN4OS/c1-2-3-4-5-6-7-13-24-18(15-8-10-16(20)11-9-15)22-23-19(24)26-14-12-17(21)25/h8-11H,2-7,12-14H2,1H3,(H2,21,25)