methyl 2-azanyl-4-[3-(1,2,3,4-tetrazol-1-yl)phenyl]thiophene-3-carboxylate

Systemtic Name: methyl 2-azanyl-4-[3-(1,2,3,4-tetrazol-1-yl)phenyl]thiophene-3-carboxylate Openeye Name: methyl 2-amino-4-[3-(tetrazol-1-yl)phenyl]thiophene-3-carboxylate CAS Name: 2-amino-4-[3-(1-tetrazolyl)phenyl]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 2-amino-4-[3-(tetrazol-1-yl)phenyl]thiophene-3-carboxylate Traditional Name: 2-amino-4-[3-(tetrazol-1-yl)phenyl]thiophene-3-carboxylic acid methyl ester Formula: C13H11N5O2S MolecularWeight: 301.32374

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(SC=C1C2=CC(=CC=C2)N3C=NN=N3)N

Isomeric SMILES

COC(=O)C1=C(SC=C1C2=CC(=CC=C2)N3C=NN=N3)N

InChI

InChI=1S/C13H11N5O2S/c1-20-13(19)11-10(6-21-12(11)14)8-3-2-4-9(5-8)18-7-15-16-17-18/h2-7H,14H2,1H3