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

Systemtic Name: [1-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Openeye Name: [1-[[4-methyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone CAS Name: [1-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-4-piperidin-1-iumyl]-phenylmethanone IUPAC Name: [1-[[4-methyl-3-(2-methylphenyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenylmethanone Traditional Name: [1-[[4-methyl-3-(o-tolyl)-5-thioxo-1,2,4-triazol-1-yl]methyl]piperidin-1-ium-4-yl]-phenyl-methanone Formula: C23H27N4OS+ MolecularWeight: 407.55168

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN(C(=S)N2C)C[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1C2=NN(C(=S)N2C)C[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4

InChI

InChI=1S/C23H26N4OS/c1-17-8-6-7-11-20(17)22-24-27(23(29)25(22)2)16-26-14-12-19(13-15-26)21(28)18-9-4-3-5-10-18/h3-11,19H,12-16H2,1-2H3/p+1