N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide

Systemtic Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide Openeye Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide CAS Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-1,5-dimethyl-3-pyrazolecarboxamide IUPAC Name: N-[2-[2-(1,3-dioxan-2-yl)ethylsulfanyl]-1,3-benzothiazol-6-yl]-1,5-dimethylpyrazole-3-carboxamide Traditional Name: N-[2-[2-(1,3-dioxan-2-yl)ethylthio]-1,3-benzothiazol-6-yl]-1,5-dimethyl-pyrazole-3-carboxamide Formula: C19H22N4O3S2 MolecularWeight: 418.53298

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4

Isomeric SMILES

CC1=CC(=NN1C)C(=O)NC2=CC3=C(C=C2)N=C(S3)SCCC4OCCCO4

InChI

InChI=1S/C19H22N4O3S2/c1-12-10-15(22-23(12)2)18(24)20-13-4-5-14-16(11-13)28-19(21-14)27-9-6-17-25-7-3-8-26-17/h4-5,10-11,17H,3,6-9H2,1-2H3,(H,20,24)