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

Systemtic Name: ethyl 2-[1-[[(4-bromophenyl)methyl-methyl-amino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[1-[[(4-bromophenyl)methyl-methyl-amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]acetate CAS Name: 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-[[(4-bromophenyl)methyl-methylamino]methyl]-4-methyl-5-sulfanylidene-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[1-[[(4-bromobenzyl)-methyl-amino]methyl]-4-methyl-5-thioxo-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C16H21BrN4O2S MolecularWeight: 413.33254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21BrN4O2S/c1-4-23-15(22)9-14-18-21(16(24)20(14)3)11-19(2)10-12-5-7-13(17)8-6-12/h5-8H,4,9-11H2,1-3H3