3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione

Systemtic Name: 3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione Openeye Name: 3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione CAS Name: 3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentane-2,4-dione IUPAC Name: 3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]pentane-2,4-dione Traditional Name: 3-[[5-(4-chlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]pentane-2,4-dione Formula: C19H16ClN3O2S MolecularWeight: 385.86724

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN3O2S/c1-12(24)17(13(2)25)26-19-22-21-18(14-8-10-15(20)11-9-14)23(19)16-6-4-3-5-7-16/h3-11,17H,1-2H3