6-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazin-5-ium-2-thione

Systemtic Name: 6-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazin-5-ium-2-thione Openeye Name: 3-(4-nitrophenyl)-6-(p-tolyl)-1,4-dihydro-1,3,5-triazin-5-ium-2-thione CAS Name: 6-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazin-5-ium-2-thione IUPAC Name: 6-(4-methylphenyl)-3-(4-nitrophenyl)-1,4-dihydro-1,3,5-triazin-5-ium-2-thione Traditional Name: 3-(4-nitrophenyl)-6-(p-tolyl)-1,4-dihydro-s-triazin-5-ium-2-thione Formula: C16H15N4O2S+ MolecularWeight: 327.3809

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=[NH+]CN(C(=S)N2)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C2=[NH+]CN(C(=S)N2)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O2S/c1-11-2-4-12(5-3-11)15-17-10-19(16(23)18-15)13-6-8-14(9-7-13)20(21)22/h2-9H,10H2,1H3,(H,17,18,23)/p+1