N-(3-ethynylphenyl)-1-[(4-fluorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide

Systemtic Name: N-(3-ethynylphenyl)-1-[(4-fluorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide Openeye Name: N-(3-ethynylphenyl)-1-[(4-fluorophenyl)methyl]-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide CAS Name: N-(3-ethynylphenyl)-1-[(4-fluorophenyl)methyl]-3-methyl-5-thieno[2,3-c]pyrazolecarboxamide IUPAC Name: N-(3-ethynylphenyl)-1-[(4-fluorophenyl)methyl]-3-methylthieno[2,3-c]pyrazole-5-carboxamide Traditional Name: N-(3-ethynylphenyl)-1-(4-fluorobenzyl)-3-methyl-thieno[2,3-c]pyrazole-5-carboxamide Formula: C22H16FN3OS MolecularWeight: 389.445343

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC=CC(=C3)C#C)CC4=CC=C(C=C4)F

Isomeric SMILES

CC1=NN(C2=C1C=C(S2)C(=O)NC3=CC=CC(=C3)C#C)CC4=CC=C(C=C4)F

InChI

InChI=1S/C22H16FN3OS/c1-3-15-5-4-6-18(11-15)24-21(27)20-12-19-14(2)25-26(22(19)28-20)13-16-7-9-17(23)10-8-16/h1,4-12H,13H2,2H3,(H,24,27)