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

Systemtic Name: [3-(1,3-benzothiazol-2-ylcarbonyl)-1-phenyl-pyrazol-4-yl]-thiophen-2-yl-methanone Openeye Name: [3-(1,3-benzothiazole-2-carbonyl)-1-phenyl-pyrazol-4-yl]-(2-thienyl)methanone CAS Name: [3-[1,3-benzothiazol-2-yl(oxo)methyl]-1-phenyl-4-pyrazolyl]-thiophen-2-ylmethanone IUPAC Name: [3-(1,3-benzothiazole-2-carbonyl)-1-phenylpyrazol-4-yl]-thiophen-2-ylmethanone Traditional Name: [3-(1,3-benzothiazole-2-carbonyl)-1-phenyl-pyrazol-4-yl]-(2-thienyl)methanone Formula: C22H13N3O2S2 MolecularWeight: 415.48752

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)C3=NC4=CC=CC=C4S3)C(=O)C5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C(=O)C3=NC4=CC=CC=C4S3)C(=O)C5=CC=CS5

InChI

InChI=1S/C22H13N3O2S2/c26-20(18-11-6-12-28-18)15-13-25(14-7-2-1-3-8-14)24-19(15)21(27)22-23-16-9-4-5-10-17(16)29-22/h1-13H