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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C2=NN(C(=S)N2C)C[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC(=C1)C2=NN(C(=S)N2C)C[NH+]3CCC(CC3)C(=O)C4=CC=CC=C4

InChI

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