2-[2-azanyl-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-thiophen-2-yl-ethanone

Systemtic Name: 2-[2-azanyl-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[2-amino-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-(2-thienyl)ethanone CAS Name: 2-[2-amino-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-thiophen-2-ylethanone IUPAC Name: 2-[2-amino-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[2-amino-5-[(3,4-dimethylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-(2-thienyl)ethanone Formula: C17H18N3O2S2+ MolecularWeight: 360.47372

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)OCC2=N[N+](=C(S2)N)CC(=O)C3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)OCC2=N[N+](=C(S2)N)CC(=O)C3=CC=CS3)C

InChI

InChI=1S/C17H17N3O2S2/c1-11-5-6-13(8-12(11)2)22-10-16-19-20(17(18)24-16)9-14(21)15-4-3-7-23-15/h3-8,18H,9-10H2,1-2H3/p+1