6-[5-(azetidin-1-yl)pent-1-ynyl]-3-(4-bromophenyl)-1,2-benzothiazole

Systemtic Name: 6-[5-(azetidin-1-yl)pent-1-ynyl]-3-(4-bromophenyl)-1,2-benzothiazole Openeye Name: 6-[5-(azetidin-1-yl)pent-1-ynyl]-3-(4-bromophenyl)-1,2-benzothiazole CAS Name: 6-[5-(1-azetidinyl)pent-1-ynyl]-3-(4-bromophenyl)-1,2-benzothiazole IUPAC Name: 6-[5-(azetidin-1-yl)pent-1-ynyl]-3-(4-bromophenyl)-1,2-benzothiazole Traditional Name: 6-[5-(azetidin-1-yl)pent-1-ynyl]-3-(4-bromophenyl)-1,2-benzothiazole Formula: C21H19BrN2S MolecularWeight: 411.35796

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C1)CCCC#CC2=CC3=C(C=C2)C(=NS3)C4=CC=C(C=C4)Br

Isomeric SMILES

C1CN(C1)CCCC#CC2=CC3=C(C=C2)C(=NS3)C4=CC=C(C=C4)Br

InChI

InChI=1S/C21H19BrN2S/c22-18-9-7-17(8-10-18)21-19-11-6-16(15-20(19)25-23-21)5-2-1-3-12-24-13-4-14-24/h6-11,15H,1,3-4,12-14H2