N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide Openeye Name: N-[2-(3-methoxy-3-methyl-butyl)sulfanyl-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide CAS Name: N-[2-[(3-methoxy-3-methylbutyl)thio]-1,3-benzothiazol-6-yl]-6-(1-pyrazolyl)-3-pyridinecarboxamide IUPAC Name: N-[2-(3-methoxy-3-methylbutyl)sulfanyl-1,3-benzothiazol-6-yl]-6-pyrazol-1-ylpyridine-3-carboxamide Traditional Name: N-[2-[(3-methoxy-3-methyl-butyl)thio]-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-nicotinamide Formula: C22H23N5O2S2 MolecularWeight: 453.58032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C(C=C3)N4C=CC=N4)OC

Isomeric SMILES

CC(C)(CCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C(C=C3)N4C=CC=N4)OC

InChI

InChI=1S/C22H23N5O2S2/c1-22(2,29-3)9-12-30-21-26-17-7-6-16(13-18(17)31-21)25-20(28)15-5-8-19(23-14-15)27-11-4-10-24-27/h4-8,10-11,13-14H,9,12H2,1-3H3,(H,25,28)