ethyl 2-[[4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-propyl-amino]ethanoate

Systemtic Name: ethyl 2-[[4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-propyl-amino]ethanoate Openeye Name: ethyl 2-[[4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-propyl-amino]acetate CAS Name: 2-[[4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-propylamino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl-propylamino]acetate Traditional Name: 2-[[4-cyclohexyl-3-(3,4-dimethoxyphenyl)-5-thioxo-1,2,4-triazol-1-yl]methyl-propyl-amino]acetic acid ethyl ester Formula: C24H36N4O4S MolecularWeight: 476.63204

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)OCC)CN1C(=S)N(C(=N1)C2=CC(=C(C=C2)OC)OC)C3CCCCC3

Isomeric SMILES

CCCN(CC(=O)OCC)CN1C(=S)N(C(=N1)C2=CC(=C(C=C2)OC)OC)C3CCCCC3

InChI

InChI=1S/C24H36N4O4S/c1-5-14-26(16-22(29)32-6-2)17-27-24(33)28(19-10-8-7-9-11-19)23(25-27)18-12-13-20(30-3)21(15-18)31-4/h12-13,15,19H,5-11,14,16-17H2,1-4H3