3-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]propanenitrile

Systemtic Name: 3-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]propanenitrile Openeye Name: 3-[4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]propanenitrile CAS Name: 3-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]-1-piperazine-1,4-diiumyl]propanenitrile IUPAC Name: 3-[4-[(2-sulfanylidene-1,3-benzothiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]propanenitrile Traditional Name: 3-[4-[(2-thioxo-1,3-benzothiazol-3-yl)methyl]piperazine-1,4-diium-1-yl]propionitrile Formula: C15H20N4S2+2 MolecularWeight: 320.4761

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Descriptors Computed from Structure

Canonical SMILES:

C1C[NH+](CC[NH+]1CCC#N)CN2C3=CC=CC=C3SC2=S

Isomeric SMILES

C1C[NH+](CC[NH+]1CCC#N)CN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C15H18N4S2/c16-6-3-7-17-8-10-18(11-9-17)12-19-13-4-1-2-5-14(13)21-15(19)20/h1-2,4-5H,3,7-12H2/p+2