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

Systemtic Name: 5-(5-bromanylthiophen-2-yl)-2-(5-chloranyl-2-methoxy-3-prop-2-enyl-phenyl)-1H-1,2,4-triazol-3-one Openeye Name: 2-(3-allyl-5-chloro-2-methoxy-phenyl)-5-(5-bromo-2-thienyl)-1H-1,2,4-triazol-3-one CAS Name: 5-(5-bromo-2-thiophenyl)-2-(5-chloro-2-methoxy-3-prop-2-enylphenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-(5-bromothiophen-2-yl)-2-(5-chloro-2-methoxy-3-prop-2-enylphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 2-(3-allyl-5-chloro-2-methoxy-phenyl)-5-(5-bromo-2-thienyl)-1H-1,2,4-triazol-3-one Formula: C16H13BrClN3O2S MolecularWeight: 426.71532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1CC=C)Cl)N2C(=O)N=C(N2)C3=CC=C(S3)Br

Isomeric SMILES

COC1=C(C=C(C=C1CC=C)Cl)N2C(=O)N=C(N2)C3=CC=C(S3)Br

InChI

InChI=1S/C16H13BrClN3O2S/c1-3-4-9-7-10(18)8-11(14(9)23-2)21-16(22)19-15(20-21)12-5-6-13(17)24-12/h3,5-8H,1,4H2,2H3,(H,19,20,22)