N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanamide

Systemtic Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxidanylidene-butanamide Openeye Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2,5-dimethyl-3-thienyl)-4-oxo-butanamide CAS Name: N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-4-(2,5-dimethyl-3-thiophenyl)-4-oxobutanamide IUPAC Name: N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide Traditional Name: N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-4-(2,5-dimethyl-3-thienyl)-4-keto-butyramide Formula: C22H25N3O2S MolecularWeight: 395.5178

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(S1)C)C(=O)CCC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=C(S1)C)C(=O)CCC(=O)NCC2=C(N(N=C2C)C3=CC=CC=C3)C

InChI

InChI=1S/C22H25N3O2S/c1-14-12-19(17(4)28-14)21(26)10-11-22(27)23-13-20-15(2)24-25(16(20)3)18-8-6-5-7-9-18/h5-9,12H,10-11,13H2,1-4H3,(H,23,27)