ethyl 2-[[1-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

Systemtic Name: ethyl 2-[[1-(4-aminocarbonylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate Openeye Name: ethyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate CAS Name: 2-[[1-(4-carbamoylphenyl)-5-tetrazolyl]thio]acetic acid ethyl ester IUPAC Name: ethyl 2-[1-(4-carbamoylphenyl)tetrazol-5-yl]sulfanylacetate Traditional Name: 2-[[1-(4-carbamoylphenyl)tetrazol-5-yl]thio]acetic acid ethyl ester Formula: C12H13N5O3S MolecularWeight: 307.32832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CSC1=NN=NN1C2=CC=C(C=C2)C(=O)N

Isomeric SMILES

CCOC(=O)CSC1=NN=NN1C2=CC=C(C=C2)C(=O)N

InChI

InChI=1S/C12H13N5O3S/c1-2-20-10(18)7-21-12-14-15-16-17(12)9-5-3-8(4-6-9)11(13)19/h3-6H,2,7H2,1H3,(H2,13,19)