propyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate

Systemtic Name: propyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: propyl 2-[(E)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid propyl ester IUPAC Name: propyl 2-[(E)-(3-methyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 2-[(E)-(3-methyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid propyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O2S/c1-3-8-20-13(19)12-7-5-4-6-11(12)9-15-18-10(2)16-17-14(18)21/h4-7,9H,3,8H2,1-2H3,(H,17,21)/b15-9+