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

Systemtic Name: dimethyl 5-azanyl-3-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[4-ethyl-5-(m-tolyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C20H22N4O4S2 MolecularWeight: 446.54308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N4O4S2/c1-5-24-17(12-8-6-7-11(2)9-12)22-23-20(24)29-10-13-14(18(25)27-3)16(21)30-15(13)19(26)28-4/h6-9H,5,10,21H2,1-4H3