2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide

Systemtic Name: 2-(2-azanyl-2-oxidanylidene-ethyl)sulfanyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide Openeye Name: 2-(2-amino-2-oxo-ethyl)sulfanyl-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide CAS Name: 2-[(2-amino-2-oxoethyl)thio]-N-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]benzamide IUPAC Name: 2-(2-amino-2-oxoethyl)sulfanyl-N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]benzamide Traditional Name: 2-[(2-amino-2-keto-ethyl)thio]-N-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]benzamide Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=CC=C3SCC(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)C3=CC=CC=C3SCC(=O)N

InChI

InChI=1S/C21H22N4O2S/c1-14-18(15(2)25(24-14)16-8-4-3-5-9-16)12-23-21(27)17-10-6-7-11-19(17)28-13-20(22)26/h3-11H,12-13H2,1-2H3,(H2,22,26)(H,23,27)