methyl 2-[[1-(3-acetamidophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]ethanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SCC(=O)OC

Isomeric SMILES

CC(=O)NC1=CC=CC(=C1)N2C(=NN=N2)SCC(=O)OC

InChI

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