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

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[4-ethyl-5-(2-methyl-3-furanyl)-1,2,4-triazol-3-yl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[4-ethyl-5-(2-methyl-3-furyl)-1,2,4-triazol-3-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C18H19N5O3S2 MolecularWeight: 417.50516

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC)C3=C(OC=C3)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=C(SC(=C2C#N)N)C(=O)OCC)C3=C(OC=C3)C

InChI

InChI=1S/C18H19N5O3S2/c1-4-23-16(11-6-7-26-10(11)3)21-22-18(23)27-9-13-12(8-19)15(20)28-14(13)17(24)25-5-2/h6-7H,4-5,9,20H2,1-3H3