5-[(4-methylphenyl)amino]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(4-methylphenyl)amino]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-methylanilino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(4-methylanilino)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(4-methylanilino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(p-toluidino)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C18H22N7S2+ MolecularWeight: 400.54418

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

CC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C18H21N7S2/c1-14-3-5-15(6-4-14)21-17-22-25(18(26)27-17)13-23-9-11-24(12-10-23)16-19-7-2-8-20-16/h2-8H,9-13H2,1H3,(H,21,22)/p+1