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

Systemtic Name: 5-(2-methylpropylsulfanyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-isobutylsulfanyl-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(2-methylpropylthio)-3-[[4-(2-pyridin-1-iumyl)-1-piperazin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2-methylpropylsulfanyl)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(isobutylthio)-3-[(4-pyridin-1-ium-2-ylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C16H25N5S3+2 MolecularWeight: 383.5982

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H23N5S3/c1-13(2)11-23-15-18-21(16(22)24-15)12-19-7-9-20(10-8-19)14-5-3-4-6-17-14/h3-6,13H,7-12H2,1-2H3/p+2