methyl 5-azanyl-1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-pyrazole-4-carboxylate

Systemtic Name: methyl 5-azanyl-1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-pyrazole-4-carboxylate Openeye Name: methyl 5-amino-1-(1,3-benzothiazol-2-yl)-3-methylsulfanyl-pyrazole-4-carboxylate CAS Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(methylthio)-4-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 5-amino-1-(1,3-benzothiazol-2-yl)-3-methylsulfanylpyrazole-4-carboxylate Traditional Name: 5-amino-1-(1,3-benzothiazol-2-yl)-3-(methylthio)pyrazole-4-carboxylic acid methyl ester Formula: C13H12N4O2S2 MolecularWeight: 320.38998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(N(N=C1SC)C2=NC3=CC=CC=C3S2)N

Isomeric SMILES

COC(=O)C1=C(N(N=C1SC)C2=NC3=CC=CC=C3S2)N

InChI

InChI=1S/C13H12N4O2S2/c1-19-12(18)9-10(14)17(16-11(9)20-2)13-15-7-5-3-4-6-8(7)21-13/h3-6H,14H2,1-2H3