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

Systemtic Name: dimethyl 5-azanyl-3-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[5-(2-methyl-3-furanyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-amino-3-[[5-(2-methylfuran-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[5-(2-methyl-3-furyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C22H20N4O5S2 MolecularWeight: 484.548

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(SC(=C4C(=O)OC)N)C(=O)OC

Isomeric SMILES

CC1=C(C=CO1)C2=NN=C(N2C3=CC=CC=C3)SCC4=C(SC(=C4C(=O)OC)N)C(=O)OC

InChI

InChI=1S/C22H20N4O5S2/c1-12-14(9-10-31-12)19-24-25-22(26(19)13-7-5-4-6-8-13)32-11-15-16(20(27)29-2)18(23)33-17(15)21(28)30-3/h4-10H,11,23H2,1-3H3