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

Systemtic Name: ethyl 2-[1-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[1-[[(4-tert-butylphenyl)methyl-methyl-amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]acetate CAS Name: 2-[1-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[[(4-tert-butylphenyl)methyl-methylamino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[1-[[(4-tert-butylbenzyl)-methyl-amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C20H30N4O2S MolecularWeight: 390.5428

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN(C(=S)N1C)CN(C)CC2=CC=C(C=C2)C(C)(C)C

Isomeric SMILES

CCOC(=O)CC1=NN(C(=S)N1C)CN(C)CC2=CC=C(C=C2)C(C)(C)C

InChI

InChI=1S/C20H30N4O2S/c1-7-26-18(25)12-17-21-24(19(27)23(17)6)14-22(5)13-15-8-10-16(11-9-15)20(2,3)4/h8-11H,7,12-14H2,1-6H3