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

Systemtic Name: dimethyl 5-azanyl-3-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[(5-benzyl-4-ethyl-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)CC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(SC(=C2C(=O)OC)N)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C20H22N4O4S2/c1-4-24-14(10-12-8-6-5-7-9-12)22-23-20(24)29-11-13-15(18(25)27-2)17(21)30-16(13)19(26)28-3/h5-9H,4,10-11,21H2,1-3H3