3-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione CAS Name: 3-[[4-(4-chloro-2-nitrophenyl)-1-piperazin-1-iumyl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[4-(4-chloro-2-nitrophenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[4-(4-chloro-2-nitro-phenyl)piperazin-1-ium-1-yl]methyl]-5-methyl-1,3,4-thiadiazole-2-thione Formula: C14H17ClN5O2S2+ MolecularWeight: 386.90008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=NN(C(=S)S1)C[NH+]2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C14H16ClN5O2S2/c1-10-16-19(14(23)24-10)9-17-4-6-18(7-5-17)12-3-2-11(15)8-13(12)20(21)22/h2-3,8H,4-7,9H2,1H3/p+1