2-(2-azanyl-5-phenethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-thiophen-2-yl-ethanone

Systemtic Name: 2-(2-azanyl-5-phenethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-thiophen-2-yl-ethanone Openeye Name: 2-(2-amino-5-phenethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(2-thienyl)ethanone CAS Name: 2-(2-amino-5-phenethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-thiophen-2-ylethanone IUPAC Name: 2-(2-amino-5-phenethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-thiophen-2-ylethanone Traditional Name: 2-(2-amino-5-phenethyl-1,3,4-thiadiazol-3-ium-3-yl)-1-(2-thienyl)ethanone Formula: C16H16N3OS2+ MolecularWeight: 330.44774

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=N[N+](=C(S2)N)CC(=O)C3=CC=CS3

Isomeric SMILES

C1=CC=C(C=C1)CCC2=N[N+](=C(S2)N)CC(=O)C3=CC=CS3

InChI

InChI=1S/C16H15N3OS2/c17-16-19(11-13(20)14-7-4-10-21-14)18-15(22-16)9-8-12-5-2-1-3-6-12/h1-7,10,17H,8-9,11H2/p+1