[2-methyl-4-[(4-methyl-1,3-benzothiazol-5-yl)carbonyl]pyrazol-3-yl] 3-fluoranylbenzoate

Systemtic Name: [2-methyl-4-[(4-methyl-1,3-benzothiazol-5-yl)carbonyl]pyrazol-3-yl] 3-fluoranylbenzoate Openeye Name: [2-methyl-4-(4-methyl-1,3-benzothiazole-5-carbonyl)pyrazol-3-yl] 3-fluorobenzoate CAS Name: 3-fluorobenzoic acid [2-methyl-4-[(4-methyl-1,3-benzothiazol-5-yl)-oxomethyl]-3-pyrazolyl] ester IUPAC Name: [2-methyl-4-(4-methyl-1,3-benzothiazole-5-carbonyl)pyrazol-3-yl] 3-fluorobenzoate Traditional Name: 3-fluorobenzoic acid [2-methyl-4-(4-methyl-1,3-benzothiazole-5-carbonyl)pyrazol-3-yl] ester Formula: C20H14FN3O3S MolecularWeight: 395.406863

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1N=CS2)C(=O)C3=C(N(N=C3)C)OC(=O)C4=CC(=CC=C4)F

Isomeric SMILES

CC1=C(C=CC2=C1N=CS2)C(=O)C3=C(N(N=C3)C)OC(=O)C4=CC(=CC=C4)F

InChI

InChI=1S/C20H14FN3O3S/c1-11-14(6-7-16-17(11)22-10-28-16)18(25)15-9-23-24(2)19(15)27-20(26)12-4-3-5-13(21)8-12/h3-10H,1-2H3