(1-phenylpyrazol-4-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: (1-phenylpyrazol-4-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: (1-phenylpyrazol-4-yl)methyl 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid (1-phenyl-4-pyrazolyl)methyl ester IUPAC Name: (1-phenylpyrazol-4-yl)methyl 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid (1-phenylpyrazol-4-yl)methyl ester Formula: C21H17N3O2S2 MolecularWeight: 407.50858

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C=N2)COC(=O)C3=CC=C(C=C3)SCC4=CSC=N4

InChI

InChI=1S/C21H17N3O2S2/c25-21(17-6-8-20(9-7-17)28-14-18-13-27-15-22-18)26-12-16-10-23-24(11-16)19-4-2-1-3-5-19/h1-11,13,15H,12,14H2