5-cyclohexyl-1-(4-methylphenyl)-3-(1,2,4-triazol-4-yl)-1,3,5-triazinan-5-ium-2-thione

Systemtic Name: 5-cyclohexyl-1-(4-methylphenyl)-3-(1,2,4-triazol-4-yl)-1,3,5-triazinan-5-ium-2-thione Openeye Name: 5-cyclohexyl-1-(p-tolyl)-3-(1,2,4-triazol-4-yl)-1,3,5-triazinan-5-ium-2-thione CAS Name: 5-cyclohexyl-1-(4-methylphenyl)-3-(1,2,4-triazol-4-yl)-1,3,5-triazinan-5-ium-2-thione IUPAC Name: 5-cyclohexyl-1-(4-methylphenyl)-3-(1,2,4-triazol-4-yl)-1,3,5-triazinan-5-ium-2-thione Traditional Name: 5-cyclohexyl-1-(p-tolyl)-3-(1,2,4-triazol-4-yl)-1,3,5-triazinan-5-ium-2-thione Formula: C18H25N6S+ MolecularWeight: 357.4963

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C[NH+](CN(C2=S)N3C=NN=C3)C4CCCCC4

Isomeric SMILES

CC1=CC=C(C=C1)N2C[NH+](CN(C2=S)N3C=NN=C3)C4CCCCC4

InChI

InChI=1S/C18H24N6S/c1-15-7-9-17(10-8-15)23-13-21(16-5-3-2-4-6-16)14-24(18(23)25)22-11-19-20-12-22/h7-12,16H,2-6,13-14H2,1H3/p+1