ethyl 2-[4-cyclopentyl-1-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]ethanoate

Systemtic Name: ethyl 2-[4-cyclopentyl-1-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[4-cyclopentyl-1-[[(4-methoxyphenyl)methyl-methyl-amino]methyl]-5-thioxo-1,2,4-triazol-3-yl]acetate CAS Name: 2-[4-cyclopentyl-1-[[(4-methoxyphenyl)methyl-methylamino]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[4-cyclopentyl-1-[[(4-methoxyphenyl)methyl-methylamino]methyl]-5-sulfanylidene-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[4-cyclopentyl-1-[[methyl(p-anisyl)amino]methyl]-5-thioxo-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C21H30N4O3S MolecularWeight: 418.5529

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C2CCCC2)CN(C)CC3=CC=C(C=C3)OC

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C2CCCC2)CN(C)CC3=CC=C(C=C3)OC

InChI

InChI=1S/C21H30N4O3S/c1-4-28-20(26)13-19-22-24(21(29)25(19)17-7-5-6-8-17)15-23(2)14-16-9-11-18(27-3)12-10-16/h9-12,17H,4-8,13-15H2,1-3H3