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

Systemtic Name: 4-[(Z)-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: 4-[(Z)-[3-(3-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 4-[(Z)-[3-(3-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 4-[(Z)-(3-pyridin-3-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 4-[(Z)-[3-(3-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(=CN=C1)C2=NNC(=S)N2N=CC3=CC=C(C=C3)C(=O)[O-]

Isomeric SMILES

C1=CC(=CN=C1)C2=NNC(=S)N2/N=C\C3=CC=C(C=C3)C(=O)[O-]

InChI

InChI=1S/C15H11N5O2S/c21-14(22)11-5-3-10(4-6-11)8-17-20-13(18-19-15(20)23)12-2-1-7-16-9-12/h1-9H,(H,19,23)(H,21,22)/p-1/b17-8-