2-[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanyl-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]ethanamide

Systemtic Name: 2-[1-(diphenylmethyl)azetidin-1-ium-3-yl]sulfanyl-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]ethanamide Openeye Name: 2-(1-benzhydrylazetidin-1-ium-3-yl)sulfanyl-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide CAS Name: 2-[[1-(diphenylmethyl)-3-azetidin-1-iumyl]thio]-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide IUPAC Name: 2-(1-benzhydrylazetidin-1-ium-3-yl)sulfanyl-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide Traditional Name: 2-[(1-benzhydrylazetidin-1-ium-3-yl)thio]-N-[(Z)-1-(4-nitrophenyl)ethylideneamino]acetamide Formula: C26H27N4O3S+ MolecularWeight: 475.58258

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)CSC1C[NH+](C1)C(C2=CC=CC=C2)C3=CC=CC=C3)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C/C(=N/NC(=O)CSC1C[NH+](C1)C(C2=CC=CC=C2)C3=CC=CC=C3)/C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H26N4O3S/c1-19(20-12-14-23(15-13-20)30(32)33)27-28-25(31)18-34-24-16-29(17-24)26(21-8-4-2-5-9-21)22-10-6-3-7-11-22/h2-15,24,26H,16-18H2,1H3,(H,28,31)/p+1/b27-19-