2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-1-ium-2-yl-ethanamide

Systemtic Name: 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-1-ium-2-yl-ethanamide Openeye Name: 2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-1-ium-2-yl-acetamide CAS Name: 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-(2-pyridin-1-iumyl)acetamide IUPAC Name: 2-[[5-(2-methylphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-pyridin-1-ium-2-ylacetamide Traditional Name: 2-[[5-(o-tolyl)-4-phenyl-1,2,4-triazol-3-yl]thio]-N-pyridin-1-ium-2-yl-acetamide Formula: C22H20N5OS+ MolecularWeight: 402.4921

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=[NH+]4

Isomeric SMILES

CC1=CC=CC=C1C2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=CC=CC=[NH+]4

InChI

InChI=1S/C22H19N5OS/c1-16-9-5-6-12-18(16)21-25-26-22(27(21)17-10-3-2-4-11-17)29-15-20(28)24-19-13-7-8-14-23-19/h2-14H,15H2,1H3,(H,23,24,28)/p+1