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

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

Isomeric SMILES

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

InChI

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