3-[3-(3-bromophenyl)-4-[(E)-(carbamothioylhydrazinylidene)methyl]pyrazol-1-yl]propanoate

Systemtic Name: 3-[3-(3-bromophenyl)-4-[(E)-(carbamothioylhydrazinylidene)methyl]pyrazol-1-yl]propanoate Openeye Name: 3-[3-(3-bromophenyl)-4-[(E)-(carbamothioylhydrazono)methyl]pyrazol-1-yl]propanoate CAS Name: 3-[3-(3-bromophenyl)-4-[(E)-(carbamothioylhydrazinylidene)methyl]-1-pyrazolyl]propanoate IUPAC Name: 3-[3-(3-bromophenyl)-4-[(E)-(carbamothioylhydrazinylidene)methyl]pyrazol-1-yl]propanoate Traditional Name: 3-[3-(3-bromophenyl)-4-[(E)-(thiocarbamoylhydrazono)methyl]pyrazol-1-yl]propionate Formula: C14H13BrN5O2S- MolecularWeight: 395.25432

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C2=NN(C=C2C=NNC(=S)N)CCC(=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)C2=NN(C=C2/C=N/NC(=S)N)CCC(=O)[O-]

InChI

InChI=1S/C14H14BrN5O2S/c15-11-3-1-2-9(6-11)13-10(7-17-18-14(16)23)8-20(19-13)5-4-12(21)22/h1-3,6-8H,4-5H2,(H,21,22)(H3,16,18,23)/p-1/b17-7+