methyl 4-[[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methyl-amino]methyl]benzoate

Systemtic Name: methyl 4-[[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(5-tert-butyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl-methylamino]methyl]benzoate Traditional Name: 4-[[(5-tert-butyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C17H24N4O2S MolecularWeight: 348.46306

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=S)N(N1)CN(C)CC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)C1=NC(=S)N(N1)CN(C)CC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C17H24N4O2S/c1-17(2,3)15-18-16(24)21(19-15)11-20(4)10-12-6-8-13(9-7-12)14(22)23-5/h6-9H,10-11H2,1-5H3,(H,18,19,24)