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

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-pyridine-3-carboxamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-6-(1-pyrazolyl)-3-pyridinecarboxamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-6-pyrazol-1-ylpyridine-3-carboxamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-6-pyrazol-1-yl-nicotinamide Formula: C22H21N5O3S2 MolecularWeight: 467.56384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CN=C(C=C4)N5C=CC=N5

Isomeric SMILES

C1COC(OC1)CCSC2=NC3=C(S2)C=C(C=C3)NC(=O)C4=CN=C(C=C4)N5C=CC=N5

InChI

InChI=1S/C22H21N5O3S2/c28-21(15-3-6-19(23-14-15)27-9-1-8-24-27)25-16-4-5-17-18(13-16)32-22(26-17)31-12-7-20-29-10-2-11-30-20/h1,3-6,8-9,13-14,20H,2,7,10-12H2,(H,25,28)