methyl 2-methyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate

Systemtic Name: methyl 2-methyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoate Openeye Name: methyl 2-methyl-3-(1-phenyltetrazol-5-yl)sulfanyl-propanoate CAS Name: 2-methyl-3-[(1-phenyl-5-tetrazolyl)thio]propanoic acid methyl ester IUPAC Name: methyl 2-methyl-3-(1-phenyltetrazol-5-yl)sulfanylpropanoate Traditional Name: 2-methyl-3-[(1-phenyltetrazol-5-yl)thio]propionic acid methyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

CC(CSC1=NN=NN1C2=CC=CC=C2)C(=O)OC

Isomeric SMILES

CC(CSC1=NN=NN1C2=CC=CC=C2)C(=O)OC

InChI

InChI=1S/C12H14N4O2S/c1-9(11(17)18-2)8-19-12-13-14-15-16(12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3