2-(5-chloranyl-2-oxidanyl-3-propyl-phenyl)-5-thiophen-2-yl-1H-1,2,4-triazol-3-one

Systemtic Name: 2-(5-chloranyl-2-oxidanyl-3-propyl-phenyl)-5-thiophen-2-yl-1H-1,2,4-triazol-3-one Openeye Name: 2-(5-chloro-2-hydroxy-3-propyl-phenyl)-5-(2-thienyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(5-chloro-2-hydroxy-3-propylphenyl)-5-thiophen-2-yl-1H-1,2,4-triazol-3-one IUPAC Name: 2-(5-chloro-2-hydroxy-3-propylphenyl)-5-thiophen-2-yl-1H-1,2,4-triazol-3-one Traditional Name: 2-(5-chloro-2-hydroxy-3-propyl-phenyl)-5-(2-thienyl)-1H-1,2,4-triazol-3-one Formula: C15H14ClN3O2S MolecularWeight: 335.80856

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC(=CC(=C1O)N2C(=O)N=C(N2)C3=CC=CS3)Cl

Isomeric SMILES

CCCC1=CC(=CC(=C1O)N2C(=O)N=C(N2)C3=CC=CS3)Cl

InChI

InChI=1S/C15H14ClN3O2S/c1-2-4-9-7-10(16)8-11(13(9)20)19-15(21)17-14(18-19)12-5-3-6-22-12/h3,5-8,20H,2,4H2,1H3,(H,17,18,21)