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

Systemtic Name: methyl 4-[[methyl-[(4-methyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoate Openeye Name: methyl 4-[[methyl-[[4-methyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]methyl]benzoate CAS Name: 4-[[methyl-[(4-methyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[methyl-[(4-methyl-5-sulfanylidene-3-thiophen-2-yl-1,2,4-triazol-1-yl)methyl]amino]methyl]benzoate Traditional Name: 4-[[methyl-[[4-methyl-3-(2-thienyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]amino]methyl]benzoic acid methyl ester Formula: C18H20N4O2S2 MolecularWeight: 388.507

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CN1C(=NN(C1=S)CN(C)CC2=CC=C(C=C2)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C18H20N4O2S2/c1-20(11-13-6-8-14(9-7-13)17(23)24-3)12-22-18(25)21(2)16(19-22)15-5-4-10-26-15/h4-10H,11-12H2,1-3H3