(4-pyrazol-1-ylphenyl)methyl 1,3-benzothiazole-6-carboxylate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl 1,3-benzothiazole-6-carboxylate Openeye Name: (4-pyrazol-1-ylphenyl)methyl 1,3-benzothiazole-6-carboxylate CAS Name: 1,3-benzothiazole-6-carboxylic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl 1,3-benzothiazole-6-carboxylate Traditional Name: 1,3-benzothiazole-6-carboxylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC4=C(C=C3)N=CS4

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C3=CC4=C(C=C3)N=CS4

InChI

InChI=1S/C18H13N3O2S/c22-18(14-4-7-16-17(10-14)24-12-19-16)23-11-13-2-5-15(6-3-13)21-9-1-8-20-21/h1-10,12H,11H2