1-[4-[4-[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone

Systemtic Name: 1-[4-[4-[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Openeye Name: 1-[4-[4-[(3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone CAS Name: 1-[4-[4-[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-1-piperazin-4-iumyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(3-cyclopropyl-4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Traditional Name: 1-[4-[4-[(3-cyclopropyl-4-methyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperazin-4-ium-1-yl]phenyl]ethanone Formula: C19H26N5OS+ MolecularWeight: 372.50764

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CC[NH+](CC2)CN3C(=S)N(C(=N3)C4CC4)C

InChI

InChI=1S/C19H25N5OS/c1-14(25)15-5-7-17(8-6-15)23-11-9-22(10-12-23)13-24-19(26)21(2)18(20-24)16-3-4-16/h5-8,16H,3-4,9-13H2,1-2H3/p+1