ethyl 5-azanyl-4-cyano-3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[(4-propyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[4-propyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C19H20N6O2S2 MolecularWeight: 428.5311

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC)C3=CC=NC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC)C3=CC=NC=C3

InChI

InChI=1S/C19H20N6O2S2/c1-3-9-25-17(12-5-7-22-8-6-12)23-24-19(25)28-11-14-13(10-20)16(21)29-15(14)18(26)27-4-2/h5-8H,3-4,9,11,21H2,1-2H3