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

Systemtic Name: [4-azanyl-6-[(3-chloranyl-2-methyl-phenyl)amino]-1,3,5-triazin-2-yl]methyl 4-methylpiperazin-4-ium-1-carbodithioate Openeye Name: [4-amino-6-(3-chloro-2-methyl-anilino)-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-(3-chloro-2-methylanilino)-1,3,5-triazin-2-yl]methyl ester IUPAC Name: [4-amino-6-(3-chloro-2-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-(3-chloro-2-methyl-anilino)-s-triazin-2-yl]methyl ester Formula: C17H23ClN7S2+ MolecularWeight: 424.99442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)CSC(=S)N3CC[NH+](CC3)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC2=NC(=NC(=N2)N)CSC(=S)N3CC[NH+](CC3)C

InChI

InChI=1S/C17H22ClN7S2/c1-11-12(18)4-3-5-13(11)20-16-22-14(21-15(19)23-16)10-27-17(26)25-8-6-24(2)7-9-25/h3-5H,6-10H2,1-2H3,(H3,19,20,21,22,23)/p+1