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

Systemtic Name: propyl 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: propyl 2-[(E)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate CAS Name: 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid propyl ester IUPAC Name: propyl 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Traditional Name: 2-[(E)-(3-cyclohexyl-5-thioxo-1H-1,2,4-triazol-4-yl)iminomethyl]benzoic acid propyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)C1=CC=CC=C1C=NN2C(=NNC2=S)C3CCCCC3

Isomeric SMILES

CCCOC(=O)C1=CC=CC=C1/C=N/N2C(=NNC2=S)C3CCCCC3

InChI

InChI=1S/C19H24N4O2S/c1-2-12-25-18(24)16-11-7-6-10-15(16)13-20-23-17(21-22-19(23)26)14-8-4-3-5-9-14/h6-7,10-11,13-14H,2-5,8-9,12H2,1H3,(H,22,26)/b20-13+