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

Systemtic Name: N-aminocarbonyl-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-carbamoyl-2-[[5-(4-chlorophenyl)-4-octyl-1,2,4-triazol-3-yl]thio]acetamide Formula: C19H26ClN5O2S MolecularWeight: 423.96004

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCN1C(=NN=C1SCC(=O)NC(=O)N)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCCCCCN1C(=NN=C1SCC(=O)NC(=O)N)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C19H26ClN5O2S/c1-2-3-4-5-6-7-12-25-17(14-8-10-15(20)11-9-14)23-24-19(25)28-13-16(26)22-18(21)27/h8-11H,2-7,12-13H2,1H3,(H3,21,22,26,27)