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

Systemtic Name: 2-[(Z)-[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Openeye Name: 2-[(Z)-[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate CAS Name: 2-[(Z)-[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate IUPAC Name: 2-[(Z)-[3-(4-tert-butylphenyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Traditional Name: 2-[(Z)-[3-(4-tert-butylphenyl)-5-thioxo-1H-1,2,4-triazol-4-yl]iminomethyl]benzoate Formula: C20H19N4O2S- MolecularWeight: 379.45546

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2N=CC3=CC=CC=C3C(=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=S)N2/N=C\C3=CC=CC=C3C(=O)[O-]

InChI

InChI=1S/C20H20N4O2S/c1-20(2,3)15-10-8-13(9-11-15)17-22-23-19(27)24(17)21-12-14-6-4-5-7-16(14)18(25)26/h4-12H,1-3H3,(H,23,27)(H,25,26)/p-1/b21-12-