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

Systemtic Name: 2-(5-chloranyl-2-oxidanyl-phenyl)-5-(3-chloranylthiophen-2-yl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(5-chloro-2-hydroxy-phenyl)-5-(3-chloro-2-thienyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(5-chloro-2-hydroxyphenyl)-5-(3-chloro-2-thiophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(5-chloro-2-hydroxyphenyl)-5-(3-chlorothiophen-2-yl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(5-chloro-2-hydroxy-phenyl)-5-(3-chloro-2-thienyl)-1H-1,2,4-triazol-3-one Formula: C12H7Cl2N3O2S MolecularWeight: 328.17388

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)N2C(=O)N=C(N2)C3=C(C=CS3)Cl)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)N2C(=O)N=C(N2)C3=C(C=CS3)Cl)O

InChI

InChI=1S/C12H7Cl2N3O2S/c13-6-1-2-9(18)8(5-6)17-12(19)15-11(16-17)10-7(14)3-4-20-10/h1-5,18H,(H,15,16,19)