2-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate

Systemtic Name: 2-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: 2-[[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 2-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate IUPAC Name: 2-[(3-pyridin-4-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 2-[[3-(4-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C15H10N5O2S- MolecularWeight: 324.3372

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3)C(=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C=NN2C(=NNC2=S)C3=CC=NC=C3)C(=O)[O-]

InChI

InChI=1S/C15H11N5O2S/c21-14(22)12-4-2-1-3-11(12)9-17-20-13(18-19-15(20)23)10-5-7-16-8-6-10/h1-9H,(H,19,23)(H,21,22)/p-1