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

Systemtic Name: methyl 4-[[(3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate Openeye Name: methyl 4-[[(3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoate CAS Name: 4-[[(3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[(3-cyclopropyl-4-ethyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl-methylamino]methyl]benzoate Traditional Name: 4-[[(3-cyclopropyl-4-ethyl-5-thioxo-1,2,4-triazol-1-yl)methyl-methyl-amino]methyl]benzoic acid methyl ester Formula: C18H24N4O2S MolecularWeight: 360.47376

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)OC)C3CC3

Isomeric SMILES

CCN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)OC)C3CC3

InChI

InChI=1S/C18H24N4O2S/c1-4-21-16(14-9-10-14)19-22(18(21)25)12-20(2)11-13-5-7-15(8-6-13)17(23)24-3/h5-8,14H,4,9-12H2,1-3H3