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

Systemtic Name: 2-[2-azanyl-5-[(5-methyl-2-propan-2-yl-phenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-thiophen-2-yl-ethanone Openeye Name: 2-[2-amino-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-(2-thienyl)ethanone CAS Name: 2-[2-amino-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-thiophen-2-ylethanone IUPAC Name: 2-[2-amino-5-[(5-methyl-2-propan-2-ylphenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-thiophen-2-ylethanone Traditional Name: 2-[2-amino-5-[(2-isopropyl-5-methyl-phenoxy)methyl]-1,3,4-thiadiazol-3-ium-3-yl]-1-(2-thienyl)ethanone Formula: C19H22N3O2S2+ MolecularWeight: 388.52688

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O2S2/c1-12(2)14-7-6-13(3)9-16(14)24-11-18-21-22(19(20)26-18)10-15(23)17-5-4-8-25-17/h4-9,12,20H,10-11H2,1-3H3/p+1