1,3-benzothiazol-2-ylmethyl 4-pyrazol-1-ylbenzoate

Systemtic Name: 1,3-benzothiazol-2-ylmethyl 4-pyrazol-1-ylbenzoate Openeye Name: 1,3-benzothiazol-2-ylmethyl 4-pyrazol-1-ylbenzoate CAS Name: 4-(1-pyrazolyl)benzoic acid 1,3-benzothiazol-2-ylmethyl ester IUPAC Name: 1,3-benzothiazol-2-ylmethyl 4-pyrazol-1-ylbenzoate Traditional Name: 4-pyrazol-1-ylbenzoic acid 1,3-benzothiazol-2-ylmethyl ester Formula: C18H13N3O2S MolecularWeight: 335.37972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

Isomeric SMILES

C1=CC=C2C(=C1)N=C(S2)COC(=O)C3=CC=C(C=C3)N4C=CC=N4

InChI

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