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

Systemtic Name: diethyl 5-azanyl-3-[(4-azanyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Openeye Name: diethyl 5-amino-3-[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2,4-dicarboxylate CAS Name: 5-amino-3-[[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester IUPAC Name: diethyl 5-amino-3-[(4-amino-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2,4-dicarboxylate Traditional Name: 5-amino-3-[[[4-amino-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2,4-dicarboxylic acid diethyl ester Formula: C17H19N5O4S3 MolecularWeight: 453.55886

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2N)C3=CC=CS3)C(=O)OCC)N

Isomeric SMILES

CCOC(=O)C1=C(SC(=C1CSC2=NN=C(N2N)C3=CC=CS3)C(=O)OCC)N

InChI

InChI=1S/C17H19N5O4S3/c1-3-25-15(23)11-9(12(29-13(11)18)16(24)26-4-2)8-28-17-21-20-14(22(17)19)10-6-5-7-27-10/h5-7H,3-4,8,18-19H2,1-2H3