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

Systemtic Name: 2-[2-azanyl-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-naphthalen-2-yl-ethanone Openeye Name: 2-[2-amino-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(2-naphthyl)ethanone CAS Name: 2-[2-amino-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(2-naphthalenyl)ethanone IUPAC Name: 2-[2-amino-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-naphthalen-2-ylethanone Traditional Name: 2-[2-amino-5-(4-tert-butylphenyl)-1,3,4-thiadiazol-3-ium-3-yl]-1-(2-naphthyl)ethanone Formula: C24H24N3OS+ MolecularWeight: 402.53186

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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=CC4=CC=CC=C4C=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=N[N+](=C(S2)N)CC(=O)C3=CC4=CC=CC=C4C=C3

InChI

InChI=1S/C24H23N3OS/c1-24(2,3)20-12-10-17(11-13-20)22-26-27(23(25)29-22)15-21(28)19-9-8-16-6-4-5-7-18(16)14-19/h4-14,25H,15H2,1-3H3/p+1