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

Systemtic Name: methyl 4-azanyl-5-(1,3-benzothiazol-2-yl)-2-phenyl-pyrazole-3-carboxylate Openeye Name: methyl 4-amino-5-(1,3-benzothiazol-2-yl)-2-phenyl-pyrazole-3-carboxylate CAS Name: 4-amino-5-(1,3-benzothiazol-2-yl)-2-phenyl-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-amino-5-(1,3-benzothiazol-2-yl)-2-phenylpyrazole-3-carboxylate Traditional Name: 4-amino-5-(1,3-benzothiazol-2-yl)-2-phenyl-pyrazole-3-carboxylic acid methyl ester Formula: C18H14N4O2S MolecularWeight: 350.39436

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1C2=CC=CC=C2)C3=NC4=CC=CC=C4S3)N

Isomeric SMILES

COC(=O)C1=C(C(=NN1C2=CC=CC=C2)C3=NC4=CC=CC=C4S3)N

InChI

InChI=1S/C18H14N4O2S/c1-24-18(23)16-14(19)15(21-22(16)11-7-3-2-4-8-11)17-20-12-9-5-6-10-13(12)25-17/h2-10H,19H2,1H3