ethyl 5-azanyl-4-cyano-3-[[1-(2-thiophen-2-ylethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate

Systemtic Name: ethyl 5-azanyl-4-cyano-3-[[1-(2-thiophen-2-ylethyl)-1,2,3,4-tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate Openeye Name: ethyl 5-amino-4-cyano-3-[[1-[2-(2-thienyl)ethyl]tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate CAS Name: 5-amino-4-cyano-3-[[[1-(2-thiophen-2-ylethyl)-5-tetrazolyl]thio]methyl]-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 5-amino-4-cyano-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]thiophene-2-carboxylate Traditional Name: 5-amino-4-cyano-3-[[[1-[2-(2-thienyl)ethyl]tetrazol-5-yl]thio]methyl]thiophene-2-carboxylic acid ethyl ester Formula: C16H16N6O2S3 MolecularWeight: 420.53224

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=NN2CCC3=CC=CS3

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N)C#N)CSC2=NN=NN2CCC3=CC=CS3

InChI

InChI=1S/C16H16N6O2S3/c1-2-24-15(23)13-12(11(8-17)14(18)27-13)9-26-16-19-20-21-22(16)6-5-10-4-3-7-25-10/h3-4,7H,2,5-6,9,18H2,1H3