1-(3-bromanyl-4-methoxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: 1-(3-bromanyl-4-methoxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(3-bromo-4-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(3-bromo-4-methoxyphenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(3-bromo-4-methoxy-phenyl)-2-[(4-phenyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C17H14BrN3O2S MolecularWeight: 404.28096

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)CSC2=NN=CN2C3=CC=CC=C3)Br

InChI

InChI=1S/C17H14BrN3O2S/c1-23-16-8-7-12(9-14(16)18)15(22)10-24-17-20-19-11-21(17)13-5-3-2-4-6-13/h2-9,11H,10H2,1H3