dimethyl 5-azanyl-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate

Systemtic Name: dimethyl 5-azanyl-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(4-ethyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[4-ethyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C17H18N4O4S3 MolecularWeight: 438.54422

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)C3=CC=CS3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)C3=CC=CS3

InChI

InChI=1S/C17H18N4O4S3/c1-4-21-14(10-6-5-7-26-10)19-20-17(21)27-8-9-11(15(22)24-2)13(18)28-12(9)16(23)25-3/h5-7H,4,8,18H2,1-3H3