ethyl 4-(1-methyl-1,2,3,4-tetrazol-5-yl)-5-pyridin-2-yl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-(1-methyl-1,2,3,4-tetrazol-5-yl)-5-pyridin-2-yl-thiophene-2-carboxylate Openeye Name: ethyl 4-(1-methyltetrazol-5-yl)-5-(2-pyridyl)thiophene-2-carboxylate CAS Name: 4-(1-methyl-5-tetrazolyl)-5-(2-pyridinyl)-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(1-methyltetrazol-5-yl)-5-pyridin-2-ylthiophene-2-carboxylate Traditional Name: 4-(1-methyltetrazol-5-yl)-5-(2-pyridyl)thiophene-2-carboxylic acid ethyl ester Formula: C14H13N5O2S MolecularWeight: 315.35032

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(S1)C2=CC=CC=N2)C3=NN=NN3C

Isomeric SMILES

CCOC(=O)C1=CC(=C(S1)C2=CC=CC=N2)C3=NN=NN3C

InChI

InChI=1S/C14H13N5O2S/c1-3-21-14(20)11-8-9(13-16-17-18-19(13)2)12(22-11)10-6-4-5-7-15-10/h4-8H,3H2,1-2H3