3-(4-bromophenyl)-6-(4-pyrrolidin-1-ylbutoxy)-1,2-benzothiazole

Systemtic Name: 3-(4-bromophenyl)-6-(4-pyrrolidin-1-ylbutoxy)-1,2-benzothiazole Openeye Name: 3-(4-bromophenyl)-6-(4-pyrrolidin-1-ylbutoxy)-1,2-benzothiazole CAS Name: 3-(4-bromophenyl)-6-[4-(1-pyrrolidinyl)butoxy]-1,2-benzothiazole IUPAC Name: 3-(4-bromophenyl)-6-(4-pyrrolidin-1-ylbutoxy)-1,2-benzothiazole Traditional Name: 3-(4-bromophenyl)-6-(4-pyrrolidinobutoxy)-1,2-benzothiazole Formula: C21H23BrN2OS MolecularWeight: 431.38912

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CCCCOC2=CC3=C(C=C2)C(=NS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CCN(C1)CCCCOC2=CC3=C(C=C2)C(=NS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H23BrN2OS/c22-17-7-5-16(6-8-17)21-19-10-9-18(15-20(19)26-23-21)25-14-4-3-13-24-11-1-2-12-24/h5-10,15H,1-4,11-14H2