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

Systemtic Name: 5-(2-methylpropylsulfanyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-isobutylsulfanyl-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(2-methylpropylthio)-3-[[4-(2-pyrimidinyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2-methylpropylsulfanyl)-3-[(4-pyrimidin-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(isobutylthio)-3-[[4-(2-pyrimidyl)piperazin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C15H23N6S3+ MolecularWeight: 383.57832

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(C)CSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C15H22N6S3/c1-12(2)10-23-14-18-21(15(22)24-14)11-19-6-8-20(9-7-19)13-16-4-3-5-17-13/h3-5,12H,6-11H2,1-2H3/p+1