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

Systemtic Name: 2-(5-chloranyl-2-oxidanyl-phenyl)-5-(5-iodanylthiophen-2-yl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(5-chloro-2-hydroxy-phenyl)-5-(5-iodo-2-thienyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(5-chloro-2-hydroxyphenyl)-5-(5-iodo-2-thiophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(5-chloro-2-hydroxyphenyl)-5-(5-iodothiophen-2-yl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(5-chloro-2-hydroxy-phenyl)-5-(5-iodo-2-thienyl)-1H-1,2,4-triazol-3-one Formula: C12H7ClIN3O2S MolecularWeight: 419.62535

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Cl)N2C(=O)N=C(N2)C3=CC=C(S3)I)O

Isomeric SMILES

C1=CC(=C(C=C1Cl)N2C(=O)N=C(N2)C3=CC=C(S3)I)O

InChI

InChI=1S/C12H7ClIN3O2S/c13-6-1-2-8(18)7(5-6)17-12(19)15-11(16-17)9-3-4-10(14)20-9/h1-5,18H,(H,15,16,19)