N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide

Systemtic Name: N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide Openeye Name: N-[2-(2-isopropylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide CAS Name: N-[2-[2-(propan-2-ylthio)ethylthio]-1,3-benzothiazol-6-yl]-6-(1-pyrazolyl)-3-pyridinecarboxamide IUPAC Name: N-[2-(2-propan-2-ylsulfanylethylsulfanyl)-1,3-benzothiazol-6-yl]-6-pyrazol-1-ylpyridine-3-carboxamide Traditional Name: N-[2-[2-(isopropylthio)ethylthio]-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-nicotinamide Formula: C21H21N5OS3 MolecularWeight: 455.61934

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C(C=C3)N4C=CC=N4

Isomeric SMILES

CC(C)SCCSC1=NC2=C(S1)C=C(C=C2)NC(=O)C3=CN=C(C=C3)N4C=CC=N4

InChI

InChI=1S/C21H21N5OS3/c1-14(2)28-10-11-29-21-25-17-6-5-16(12-18(17)30-21)24-20(27)15-4-7-19(22-13-15)26-9-3-8-23-26/h3-9,12-14H,10-11H2,1-2H3,(H,24,27)