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

Systemtic Name: 2-(5-chloranyl-2-methoxy-phenyl)-5-(3-iodanylthiophen-2-yl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(5-chloro-2-methoxy-phenyl)-5-(3-iodo-2-thienyl)-1H-1,2,4-triazol-3-one CAS Name: 2-(5-chloro-2-methoxyphenyl)-5-(3-iodo-2-thiophenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 2-(5-chloro-2-methoxyphenyl)-5-(3-iodothiophen-2-yl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(5-chloro-2-methoxy-phenyl)-5-(3-iodo-2-thienyl)-1H-1,2,4-triazol-3-one Formula: C13H9ClIN3O2S MolecularWeight: 433.65193

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)N2C(=O)N=C(N2)C3=C(C=CS3)I

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)N2C(=O)N=C(N2)C3=C(C=CS3)I

InChI

InChI=1S/C13H9ClIN3O2S/c1-20-10-3-2-7(14)6-9(10)18-13(19)16-12(17-18)11-8(15)4-5-21-11/h2-6H,1H3,(H,16,17,19)