methyl 4-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethylcarbamoylamino]benzoate

Systemtic Name: methyl 4-[2-[(1-methyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethylcarbamoylamino]benzoate Openeye Name: methyl 4-[2-(1-methyltetrazol-5-yl)sulfanylethylcarbamoylamino]benzoate CAS Name: 4-[[[2-[(1-methyl-5-tetrazolyl)thio]ethylamino]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(1-methyltetrazol-5-yl)sulfanylethylcarbamoylamino]benzoate Traditional Name: 4-[2-[(1-methyltetrazol-5-yl)thio]ethylcarbamoylamino]benzoic acid methyl ester Formula: C13H16N6O3S MolecularWeight: 336.36954

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=N1)SCCNC(=O)NC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CN1C(=NN=N1)SCCNC(=O)NC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C13H16N6O3S/c1-19-13(16-17-18-19)23-8-7-14-12(21)15-10-5-3-9(4-6-10)11(20)22-2/h3-6H,7-8H2,1-2H3,(H2,14,15,21)