methyl 4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-tert-butyltetrazol-5-yl)thio]methyl]benzoic acid methyl ester Formula: C14H18N4O2S MolecularWeight: 306.38332

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H18N4O2S/c1-14(2,3)18-13(15-16-17-18)21-9-10-5-7-11(8-6-10)12(19)20-4/h5-8H,9H2,1-4H3