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

Systemtic Name: diethyl 5-azanyl-3-[[4-azanyl-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[4-amino-5-(2-methoxyphenyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C20H23N5O5S2 MolecularWeight: 477.55712

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2N)C3=CC=CC=C3OC)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2N)C3=CC=CC=C3OC)C(=O)OCC)N

InChI

InChI=1S/C20H23N5O5S2/c1-4-29-18(26)14-12(15(32-16(14)21)19(27)30-5-2)10-31-20-24-23-17(25(20)22)11-8-6-7-9-13(11)28-3/h6-9H,4-5,10,21-22H2,1-3H3