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

Systemtic Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(4-fluorophenyl)sulfonyl-1-piperazin-1-iumyl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Formula: C14H18FN4O2S3+ MolecularWeight: 389.511723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CC1=NN(C(=S)S1)C[NH+]2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C14H17FN4O2S3/c1-11-16-19(14(22)23-11)10-17-6-8-18(9-7-17)24(20,21)13-4-2-12(15)3-5-13/h2-5H,6-10H2,1H3/p+1