3-[4-[(5E)-4-oxidanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile

Systemtic Name: 3-[4-[(5E)-4-oxidanylidene-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Openeye Name: 3-[4-[(5E)-4-oxo-5-(2-thienylmethylene)thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile CAS Name: 3-[4-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-2-thiazolyl]-1-piperazin-1-iumyl]propanenitrile IUPAC Name: 3-[4-[(5E)-4-oxo-5-(thiophen-2-ylmethylidene)-1,3-thiazol-2-yl]piperazin-1-ium-1-yl]propanenitrile Traditional Name: 3-[4-[(5E)-4-keto-5-(2-thenylidene)-2-thiazolin-2-yl]piperazin-1-ium-1-yl]propionitrile Formula: C15H17N4OS2+ MolecularWeight: 333.45168

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC[NH+]1CCC#N)C2=NC(=O)C(=CC3=CC=CS3)S2

Isomeric SMILES

C1CN(CC[NH+]1CCC#N)C2=NC(=O)/C(=C\C3=CC=CS3)/S2

InChI

InChI=1S/C15H16N4OS2/c16-4-2-5-18-6-8-19(9-7-18)15-17-14(20)13(22-15)11-12-3-1-10-21-12/h1,3,10-11H,2,5-9H2/p+1/b13-11+