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

Systemtic Name: propan-2-yl 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: isopropyl 2-[(E)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[(E)-(5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 2-[(E)-(5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid isopropyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=CC=C1C=NN2C=NNC2=S

Isomeric SMILES

CC(C)OC(=O)C1=CC=CC=C1/C=N/N2C=NNC2=S

InChI

InChI=1S/C13H14N4O2S/c1-9(2)19-12(18)11-6-4-3-5-10(11)7-15-17-8-14-16-13(17)20/h3-9H,1-2H3,(H,16,20)/b15-7+