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

Systemtic Name: 5-methylsulfanyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-methylsulfanyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(methylthio)-3-[(4-phenyl-1-piperazin-1-iumyl)methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-methylsulfanyl-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(methylthio)-3-[(4-phenylpiperazin-1-ium-1-yl)methyl]-1,3,4-thiadiazole-2-thione Formula: C14H19N4S3+ MolecularWeight: 339.52246

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N4S3/c1-20-13-15-18(14(19)21-13)11-16-7-9-17(10-8-16)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3/p+1