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

Systemtic Name: [4-azanyl-6-[(4-methylphenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [4-amino-6-(4-methylanilino)-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-(4-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(4-methylanilino)-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-(p-toluidino)-s-triazin-2-yl]methyl ester Formula: C17H24N7S2+ MolecularWeight: 390.54936

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NC(=NC(=N2)N)CSC(=S)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H23N7S2/c1-12-3-5-13(6-4-12)19-16-21-14(20-15(18)22-16)11-26-17(25)24-9-7-23(2)8-10-24/h3-6H,7-11H2,1-2H3,(H3,18,19,20,21,22)/p+1