N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxidanylidene-ethanamide Openeye Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-oxo-acetamide CAS Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dimethyl-1-phenyl-4-pyrazolyl)-2-oxoacetamide IUPAC Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-2-oxoacetamide Traditional Name: N-(1,3-benzothiazol-2-ylmethyl)-2-(3,5-dimethyl-1-phenyl-pyrazol-4-yl)-2-keto-acetamide Formula: C21H18N4O2S MolecularWeight: 390.45822

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCC3=NC4=CC=CC=C4S3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)C(=O)NCC3=NC4=CC=CC=C4S3

InChI

InChI=1S/C21H18N4O2S/c1-13-19(14(2)25(24-13)15-8-4-3-5-9-15)20(26)21(27)22-12-18-23-16-10-6-7-11-17(16)28-18/h3-11H,12H2,1-2H3,(H,22,27)