(E)-1-[4-[(5-methyl-1-sulfanylidene-3H-[1,2,4]triazolo[4,3-a]quinolin-10-ium-2-yl)methyl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[(5-methyl-1-sulfanylidene-3H-[1,2,4]triazolo[4,3-a]quinolin-10-ium-2-yl)methyl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[(5-methyl-1-thioxo-3H-[1,2,4]triazolo[4,3-a]quinolin-10-ium-2-yl)methyl]piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[(5-methyl-1-sulfanylidene-3H-[1,2,4]triazolo[4,3-a]quinolin-10-ium-2-yl)methyl]-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[(5-methyl-1-sulfanylidene-3H-[1,2,4]triazolo[4,3-a]quinolin-10-ium-2-yl)methyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-[(5-methyl-1-thioxo-3H-[1,2,4]triazolo[4,3-a]quinolin-10-ium-2-yl)methyl]piperazino]-3-(2-thienyl)prop-2-en-1-one Formula: C23H24N5OS2+ MolecularWeight: 450.59956

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=[N+](C3=CC=CC=C13)C(=S)N(N2)CN4CCN(CC4)C(=O)C=CC5=CC=CS5

Isomeric SMILES

CC1=CC2=[N+](C3=CC=CC=C13)C(=S)N(N2)CN4CCN(CC4)C(=O)/C=C/C5=CC=CS5

InChI

InChI=1S/C23H23N5OS2/c1-17-15-21-24-27(23(30)28(21)20-7-3-2-6-19(17)20)16-25-10-12-26(13-11-25)22(29)9-8-18-5-4-14-31-18/h2-9,14-15H,10-13,16H2,1H3/p+1/b9-8+