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

Systemtic Name: 6-[4-(azetidin-1-yl)but-1-ynyl]-3-(4-bromophenyl)-1,2-benzothiazole Openeye Name: 6-[4-(azetidin-1-yl)but-1-ynyl]-3-(4-bromophenyl)-1,2-benzothiazole CAS Name: 6-[4-(1-azetidinyl)but-1-ynyl]-3-(4-bromophenyl)-1,2-benzothiazole IUPAC Name: 6-[4-(azetidin-1-yl)but-1-ynyl]-3-(4-bromophenyl)-1,2-benzothiazole Traditional Name: 6-[4-(azetidin-1-yl)but-1-ynyl]-3-(4-bromophenyl)-1,2-benzothiazole Formula: C20H17BrN2S MolecularWeight: 397.33138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17BrN2S/c21-17-8-6-16(7-9-17)20-18-10-5-15(14-19(18)24-22-20)4-1-2-11-23-12-3-13-23/h5-10,14H,2-3,11-13H2