[1-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]-phenyl-methanone

Systemtic Name: [1-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-[(4-methyl-3-phenyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[(4-methyl-3-phenyl-5-thioxo-1,2,4-triazol-1-yl)methyl]piperidin-1-ium-4-yl]-phenyl-methanone Formula: C22H25N4OS+ MolecularWeight: 393.5251

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN1C(=NN(C1=S)C[NH+]2CCC(CC2)C(=O)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C22H24N4OS/c1-24-21(19-10-6-3-7-11-19)23-26(22(24)28)16-25-14-12-18(13-15-25)20(27)17-8-4-2-5-9-17/h2-11,18H,12-16H2,1H3/p+1