[4-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone

Systemtic Name: [4-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-yl-methanone Openeye Name: [4-[[5-(3-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone CAS Name: [4-[[5-(3-pyridinyl)-2-sulfanylidene-1,3,4-oxadiazol-3-yl]methyl]-1-piperazin-4-iumyl]-thiophen-2-ylmethanone IUPAC Name: [4-[(5-pyridin-3-yl-2-sulfanylidene-1,3,4-oxadiazol-3-yl)methyl]piperazin-4-ium-1-yl]-thiophen-2-ylmethanone Traditional Name: [4-[[5-(3-pyridyl)-2-thioxo-1,3,4-oxadiazol-3-yl]methyl]piperazin-4-ium-1-yl]-(2-thienyl)methanone Formula: C17H18N5O2S2+ MolecularWeight: 388.48712

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CN=CC=C3)C(=O)C4=CC=CS4

Isomeric SMILES

C1CN(CC[NH+]1CN2C(=S)OC(=N2)C3=CN=CC=C3)C(=O)C4=CC=CS4

InChI

InChI=1S/C17H17N5O2S2/c23-16(14-4-2-10-26-14)21-8-6-20(7-9-21)12-22-17(25)24-15(19-22)13-3-1-5-18-11-13/h1-5,10-11H,6-9,12H2/p+1