2-[2-azanyl-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(3-nitrophenyl)ethanone

Systemtic Name: 2-[2-azanyl-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(3-nitrophenyl)ethanone Openeye Name: 2-[2-amino-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(3-nitrophenyl)ethanone CAS Name: 2-[2-amino-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(3-nitrophenyl)ethanone IUPAC Name: 2-[2-amino-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(3-nitrophenyl)ethanone Traditional Name: 2-[2-amino-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(3-nitrophenyl)ethanone Formula: C20H21N4O3S+ MolecularWeight: 397.47074

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=N[N+](=C(S2)N)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=N[N+](=C(S2)N)CC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N4O3S/c1-20(2,3)15-9-7-13(8-10-15)18-22-23(19(21)28-18)12-17(25)14-5-4-6-16(11-14)24(26)27/h4-11,21H,12H2,1-3H3/p+1