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

Systemtic Name: 5-(4-bromanyl-5-methyl-thiophen-2-yl)-2-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-one Openeye Name: 5-(4-bromo-5-methyl-2-thienyl)-2-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-one CAS Name: 5-(4-bromo-5-methyl-2-thiophenyl)-2-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-one IUPAC Name: 5-(4-bromo-5-methylthiophen-2-yl)-2-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-one Traditional Name: 5-(4-bromo-5-methyl-2-thienyl)-2-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-one Formula: C14H11BrClN3O2S MolecularWeight: 400.67804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(S1)C2=NC(=O)N(N2)C3=C(C=CC(=C3)Cl)OC)Br

Isomeric SMILES

CC1=C(C=C(S1)C2=NC(=O)N(N2)C3=C(C=CC(=C3)Cl)OC)Br

InChI

InChI=1S/C14H11BrClN3O2S/c1-7-9(15)6-12(22-7)13-17-14(20)19(18-13)10-5-8(16)3-4-11(10)21-2/h3-6H,1-2H3,(H,17,18,20)