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

Systemtic Name: ethyl 2-[1-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[1-[[(4-ethoxyphenyl)methyl-methyl-amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]acetate CAS Name: 2-[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[[(4-ethoxyphenyl)methyl-methylamino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[1-[[(4-ethoxybenzyl)-methyl-amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C18H26N4O3S MolecularWeight: 378.48904

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)CC(=O)OCC)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)CN2C(=S)N(C(=N2)CC(=O)OCC)C

InChI

InChI=1S/C18H26N4O3S/c1-5-24-15-9-7-14(8-10-15)12-20(3)13-22-18(26)21(4)16(19-22)11-17(23)25-6-2/h7-10H,5-6,11-13H2,1-4H3