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

Systemtic Name: dimethyl 5-azanyl-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C18H18N4O5S2 MolecularWeight: 434.48932

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

Isomeric SMILES

COC1=CC=C(C=C1)C2=NC(=NN2)SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C18H18N4O5S2/c1-25-10-6-4-9(5-7-10)15-20-18(22-21-15)28-8-11-12(16(23)26-2)14(19)29-13(11)17(24)27-3/h4-7H,8,19H2,1-3H3,(H,20,21,22)