N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(2,3-dimethylphenyl)amino]-2-oxidanylidene-ethyl]-1-(phenylmethyl)-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: 1-benzyl-N-[2-(2,3-dimethylanilino)-2-oxo-ethyl]-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[2-(2,3-dimethylanilino)-2-oxoethyl]-1-(phenylmethyl)-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: 1-benzyl-N-[2-(2,3-dimethylanilino)-2-oxoethyl]-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: 1-benzyl-N-[2-(2,3-dimethylanilino)-2-keto-ethyl]-3-(2-thienyl)pyrazole-4-carboxamide Formula: C25H24N4O2S MolecularWeight: 444.54866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=O)CNC(=O)C2=CN(N=C2C3=CC=CS3)CC4=CC=CC=C4)C

InChI

InChI=1S/C25H24N4O2S/c1-17-8-6-11-21(18(17)2)27-23(30)14-26-25(31)20-16-29(15-19-9-4-3-5-10-19)28-24(20)22-12-7-13-32-22/h3-13,16H,14-15H2,1-2H3,(H,26,31)(H,27,30)