methyl 2-[[4-(methylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate

Systemtic Name: methyl 2-[[4-(methylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate Openeye Name: methyl 2-[[4-(methylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate CAS Name: 2-[[4-[[methylamino(sulfanylidene)methyl]amino]-1-pyrazolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-(methylcarbamothioylamino)pyrazol-1-yl]methyl]benzoate Traditional Name: 2-[[4-(methylthiocarbamoylamino)pyrazol-1-yl]methyl]benzoic acid methyl ester Formula: C14H16N4O2S MolecularWeight: 304.36744

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=S)NC1=CN(N=C1)CC2=CC=CC=C2C(=O)OC

Isomeric SMILES

CNC(=S)NC1=CN(N=C1)CC2=CC=CC=C2C(=O)OC

InChI

InChI=1S/C14H16N4O2S/c1-15-14(21)17-11-7-16-18(9-11)8-10-5-3-4-6-12(10)13(19)20-2/h3-7,9H,8H2,1-2H3,(H2,15,17,21)