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

Systemtic Name: 5-methylsulfanyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-methylsulfanyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(methylthio)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-methylsulfanyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(methylthio)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C13H19N5S3+2 MolecularWeight: 341.51846

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

Isomeric SMILES

CSC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=CC=CC=[NH+]3

InChI

InChI=1S/C13H17N5S3/c1-20-12-15-18(13(19)21-12)10-16-6-8-17(9-7-16)11-4-2-3-5-14-11/h2-5H,6-10H2,1H3/p+2