2-(4-methylphenyl)-6-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium

Systemtic Name: 2-(4-methylphenyl)-6-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium Openeye Name: 2-(p-tolyl)-6-(2-thienyl)-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium CAS Name: 2-(4-methylphenyl)-6-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium IUPAC Name: 2-(4-methylphenyl)-6-thiophen-2-yl-4,4-bis(trifluoromethyl)-1H-1,3,5-triazine-3,5-diium Traditional Name: 2-(p-tolyl)-6-(2-thienyl)-4,4-bis(trifluoromethyl)-1H-s-triazine-3,5-diium Formula: C16H13F6N3S+2 MolecularWeight: 393.349939

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[NH+]C([NH+]=C(N2)C3=CC=CS3)(C(F)(F)F)C(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=[NH+]C([NH+]=C(N2)C3=CC=CS3)(C(F)(F)F)C(F)(F)F

InChI

InChI=1S/C16H11F6N3S/c1-9-4-6-10(7-5-9)12-23-13(11-3-2-8-26-11)25-14(24-12,15(17,18)19)16(20,21)22/h2-8H,1H3,(H,23,24,25)/p+2