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

Systemtic Name: dimethyl 5-azanyl-3-[[4-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: dimethyl 5-amino-3-[[4-(4-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-(4-butylphenyl)-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-(4-butylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[4-(4-butylphenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid dimethyl ester Formula: C25H26N4O4S3 MolecularWeight: 542.69334

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC)C4=CC=CS4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=C2SCC3=C(SC(=C3C(=O)OC)N)C(=O)OC)C4=CC=CS4

InChI

InChI=1S/C25H26N4O4S3/c1-4-5-7-15-9-11-16(12-10-15)29-22(18-8-6-13-34-18)27-28-25(29)35-14-17-19(23(30)32-2)21(26)36-20(17)24(31)33-3/h6,8-13H,4-5,7,14,26H2,1-3H3