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

Systemtic Name: 5-(diethylamino)-2-[(E)-(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Openeye Name: 5-(diethylamino)-2-[(E)-[3-(2-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate CAS Name: 5-(diethylamino)-2-[(E)-[3-(2-pyridinyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate IUPAC Name: 5-(diethylamino)-2-[(E)-(3-pyridin-2-yl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]phenolate Traditional Name: 5-(diethylamino)-2-[(E)-[3-(2-pyridyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]phenolate Formula: C18H19N6OS- MolecularWeight: 367.44806

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC(=C(C=C1)C=NN2C(=NNC2=S)C3=CC=CC=N3)[O-]

Isomeric SMILES

CCN(CC)C1=CC(=C(C=C1)/C=N/N2C(=NNC2=S)C3=CC=CC=N3)[O-]

InChI

InChI=1S/C18H20N6OS/c1-3-23(4-2)14-9-8-13(16(25)11-14)12-20-24-17(21-22-18(24)26)15-7-5-6-10-19-15/h5-12,25H,3-4H2,1-2H3,(H,22,26)/p-1/b20-12+