methyl 3-[4-(phenylmethyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]propanoate

Systemtic Name: methyl 3-[4-(phenylmethyl)-5-sulfanylidene-1,2,3,4-tetrazol-1-yl]propanoate Openeye Name: methyl 3-(4-benzyl-5-thioxo-tetrazol-1-yl)propanoate CAS Name: 3-[4-(phenylmethyl)-5-sulfanylidene-1-tetrazolyl]propanoic acid methyl ester IUPAC Name: methyl 3-(4-benzyl-5-sulfanylidenetetrazol-1-yl)propanoate Traditional Name: 3-(4-benzyl-5-thioxo-tetrazol-1-yl)propionic acid methyl ester Formula: C12H14N4O2S MolecularWeight: 278.33016

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCN1C(=S)N(N=N1)CC2=CC=CC=C2

Isomeric SMILES

COC(=O)CCN1C(=S)N(N=N1)CC2=CC=CC=C2

InChI

InChI=1S/C12H14N4O2S/c1-18-11(17)7-8-15-12(19)16(14-13-15)9-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3