(E)-3-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate

Systemtic Name: (E)-3-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Openeye Name: (E)-3-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate CAS Name: (E)-3-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]-2-propenoate IUPAC Name: (E)-3-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)sulfanyl]prop-2-enoate Traditional Name: (E)-3-(4-bromophenyl)-2-[(5-methyl-1H-1,2,4-triazol-3-yl)thio]acrylate Formula: C12H9BrN3O2S- MolecularWeight: 339.18776

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NN1)SC(=CC2=CC=C(C=C2)Br)C(=O)[O-]

Isomeric SMILES

CC1=NC(=NN1)S/C(=C/C2=CC=C(C=C2)Br)/C(=O)[O-]

InChI

InChI=1S/C12H10BrN3O2S/c1-7-14-12(16-15-7)19-10(11(17)18)6-8-2-4-9(13)5-3-8/h2-6H,1H3,(H,17,18)(H,14,15,16)/p-1/b10-6+