[3-(1,3-benzothiazol-2-ylcarbonyl)-1-phenyl-pyrazol-4-yl]-(4-methoxyphenyl)methanone

Systemtic Name: [3-(1,3-benzothiazol-2-ylcarbonyl)-1-phenyl-pyrazol-4-yl]-(4-methoxyphenyl)methanone Openeye Name: [3-(1,3-benzothiazole-2-carbonyl)-1-phenyl-pyrazol-4-yl]-(4-methoxyphenyl)methanone CAS Name: [3-[1,3-benzothiazol-2-yl(oxo)methyl]-1-phenyl-4-pyrazolyl]-(4-methoxyphenyl)methanone IUPAC Name: [3-(1,3-benzothiazole-2-carbonyl)-1-phenylpyrazol-4-yl]-(4-methoxyphenyl)methanone Traditional Name: [3-(1,3-benzothiazole-2-carbonyl)-1-phenyl-pyrazol-4-yl]-(4-methoxyphenyl)methanone Formula: C25H17N3O3S MolecularWeight: 439.48578

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C(=O)C2=CN(N=C2C(=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C(=O)C2=CN(N=C2C(=O)C3=NC4=CC=CC=C4S3)C5=CC=CC=C5

InChI

InChI=1S/C25H17N3O3S/c1-31-18-13-11-16(12-14-18)23(29)19-15-28(17-7-3-2-4-8-17)27-22(19)24(30)25-26-20-9-5-6-10-21(20)32-25/h2-15H,1H3