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

Systemtic Name: 5-(5-bromanylthiophen-3-yl)-2-(5-chloranyl-2-oxidanyl-3-prop-2-enyl-phenyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(3-allyl-5-chloro-2-hydroxy-phenyl)-5-(5-bromo-3-thienyl)-1H-1,2,4-triazol-3-one CAS Name: 5-(5-bromo-3-thiophenyl)-2-(5-chloro-2-hydroxy-3-prop-2-enylphenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-(5-bromothiophen-3-yl)-2-(5-chloro-2-hydroxy-3-prop-2-enylphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(3-allyl-5-chloro-2-hydroxy-phenyl)-5-(5-bromo-3-thienyl)-1H-1,2,4-triazol-3-one Formula: C15H11BrClN3O2S MolecularWeight: 412.68874

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Descriptors Computed from Structure

Canonical SMILES:

C=CCC1=CC(=CC(=C1O)N2C(=O)N=C(N2)C3=CSC(=C3)Br)Cl

Isomeric SMILES

C=CCC1=CC(=CC(=C1O)N2C(=O)N=C(N2)C3=CSC(=C3)Br)Cl

InChI

InChI=1S/C15H11BrClN3O2S/c1-2-3-8-4-10(17)6-11(13(8)21)20-15(22)18-14(19-20)9-5-12(16)23-7-9/h2,4-7,21H,1,3H2,(H,18,19,22)