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

Systemtic Name: 5-[(2,4-dimethylphenyl)amino]-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(2,4-dimethylanilino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(2,4-dimethylanilino)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2,4-dimethylanilino)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(2,4-dimethylanilino)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C19H24N7S2+ MolecularWeight: 414.57076

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C19H23N7S2/c1-14-4-5-16(15(2)12-14)22-18-23-26(19(27)28-18)13-24-8-10-25(11-9-24)17-20-6-3-7-21-17/h3-7,12H,8-11,13H2,1-2H3,(H,22,23)/p+1