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

Systemtic Name: propan-2-yl 2-[(E)-(3-cyclohexyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)iminomethyl]benzoate Openeye Name: isopropyl 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 propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C19H24N4O2S MolecularWeight: 372.48446

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=CC=C1C=NN2C(=NNC2=S)C3CCCCC3

Isomeric SMILES

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

InChI

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