2-[3-(azepan-1-yl)azetidin-1-yl]-6-(1-methylpyrazol-4-yl)-1,3-benzothiazole

Systemtic Name: 2-[3-(azepan-1-yl)azetidin-1-yl]-6-(1-methylpyrazol-4-yl)-1,3-benzothiazole Openeye Name: 2-[3-(azepan-1-yl)azetidin-1-yl]-6-(1-methylpyrazol-4-yl)-1,3-benzothiazole CAS Name: 2-[3-(1-azepanyl)-1-azetidinyl]-6-(1-methyl-4-pyrazolyl)-1,3-benzothiazole IUPAC Name: 2-[3-(azepan-1-yl)azetidin-1-yl]-6-(1-methylpyrazol-4-yl)-1,3-benzothiazole Traditional Name: 2-[3-(azepan-1-yl)azetidin-1-yl]-6-(1-methylpyrazol-4-yl)-1,3-benzothiazole Formula: C20H25N5S MolecularWeight: 367.511

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=N1)C2=CC3=C(C=C2)N=C(S3)N4CC(C4)N5CCCCCC5

Isomeric SMILES

CN1C=C(C=N1)C2=CC3=C(C=C2)N=C(S3)N4CC(C4)N5CCCCCC5

InChI

InChI=1S/C20H25N5S/c1-23-12-16(11-21-23)15-6-7-18-19(10-15)26-20(22-18)25-13-17(14-25)24-8-4-2-3-5-9-24/h6-7,10-12,17H,2-5,8-9,13-14H2,1H3