N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-phenylsulfanyl-acetamide CAS Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethyl-1-pyrazolyl)ethyl]-2-(phenylthio)acetamide IUPAC Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-phenylsulfanylacetamide Traditional Name: N-(1,3-benzothiazol-2-yl)-N-[2-(3,5-dimethylpyrazol-1-yl)ethyl]-2-(phenylthio)acetamide Formula: C22H22N4OS2 MolecularWeight: 422.56628

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)CSC4=CC=CC=C4)C

Isomeric SMILES

CC1=CC(=NN1CCN(C2=NC3=CC=CC=C3S2)C(=O)CSC4=CC=CC=C4)C

InChI

InChI=1S/C22H22N4OS2/c1-16-14-17(2)26(24-16)13-12-25(21(27)15-28-18-8-4-3-5-9-18)22-23-19-10-6-7-11-20(19)29-22/h3-11,14H,12-13,15H2,1-2H3