2-[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanyl-1,3-benzothiazole

Systemtic Name: 2-[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanyl-1,3-benzothiazole Openeye Name: 2-(1-benzhydrylazetidin-1-ium-3-yl)sulfanyl-1,3-benzothiazole CAS Name: 2-[[1-(diphenylmethyl)-3-azetidin-1-iumyl]thio]-1,3-benzothiazole IUPAC Name: 2-(1-benzhydrylazetidin-1-ium-3-yl)sulfanyl-1,3-benzothiazole Traditional Name: 2-[(1-benzhydrylazetidin-1-ium-3-yl)thio]-1,3-benzothiazole Formula: C23H21N2S2+ MolecularWeight: 389.55624

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=NC5=CC=CC=C5S4

Isomeric SMILES

C1C(C[NH+]1C(C2=CC=CC=C2)C3=CC=CC=C3)SC4=NC5=CC=CC=C5S4

InChI

InChI=1S/C23H20N2S2/c1-3-9-17(10-4-1)22(18-11-5-2-6-12-18)25-15-19(16-25)26-23-24-20-13-7-8-14-21(20)27-23/h1-14,19,22H,15-16H2/p+1