N-methylmethanamine; 6-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid

Systemtic Name: N-methylmethanamine; 6-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Openeye Name: N-methylmethanamine; 6-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid CAS Name: N-methylmethanamine; 6-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-3-pyridinesulfonic acid IUPAC Name: N-methylmethanamine; 6-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Traditional Name: dimethylamine; 6-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonic acid Formula: C16H16F3N5O3S MolecularWeight: 415.39015

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Descriptors Computed from Structure

Canonical SMILES:

CNC.C1=CC=C(C=C1)C2=NC(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F

Isomeric SMILES

CNC.C1=CC=C(C=C1)C2=NC(=NN2C3=NC=C(C=C3)S(=O)(=O)O)C(F)(F)F

InChI

InChI=1S/C14H9F3N4O3S.C2H7N/c15-14(16,17)13-19-12(9-4-2-1-3-5-9)21(20-13)11-7-6-10(8-18-11)25(22,23)24;1-3-2/h1-8H,(H,22,23,24);3H,1-2H3