[4-azanyl-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate

Systemtic Name: [4-azanyl-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [4-amino-6-(2-naphthylamino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate CAS Name: 4-methyl-1-piperazin-4-iumcarbodithioic acid [4-amino-6-(2-naphthalenylamino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(naphthalen-2-ylamino)-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate Traditional Name: 4-methylpiperazin-4-ium-1-carbodithioic acid [4-amino-6-(2-naphthylamino)-s-triazin-2-yl]methyl ester Formula: C20H24N7S2+ MolecularWeight: 426.58146

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)C(=S)SCC2=NC(=NC(=N2)NC3=CC4=CC=CC=C4C=C3)N

Isomeric SMILES

C[NH+]1CCN(CC1)C(=S)SCC2=NC(=NC(=N2)NC3=CC4=CC=CC=C4C=C3)N

InChI

InChI=1S/C20H23N7S2/c1-26-8-10-27(11-9-26)20(28)29-13-17-23-18(21)25-19(24-17)22-16-7-6-14-4-2-3-5-15(14)12-16/h2-7,12H,8-11,13H2,1H3,(H3,21,22,23,24,25)/p+1