5-[[(2S)-2-(diethylazaniumyl)-2-phenyl-ethyl]amino]-1,3,4-thiadiazole-2-thiolate

Systemtic Name: 5-[[(2S)-2-(diethylazaniumyl)-2-phenyl-ethyl]amino]-1,3,4-thiadiazole-2-thiolate Openeye Name: 5-[[(2S)-2-(diethylammonio)-2-phenyl-ethyl]amino]-1,3,4-thiadiazole-2-thiolate CAS Name: 5-[[(2S)-2-(diethylammonio)-2-phenylethyl]amino]-1,3,4-thiadiazole-2-thiolate IUPAC Name: 5-[[(2S)-2-(diethylazaniumyl)-2-phenylethyl]amino]-1,3,4-thiadiazole-2-thiolate Traditional Name: 5-[[(2S)-2-(diethylammonio)-2-phenyl-ethyl]amino]-1,3,4-thiadiazole-2-thiolate Formula: C14H20N4S2 MolecularWeight: 308.4654

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+](CC)C(CNC1=NN=C(S1)[S-])C2=CC=CC=C2

Isomeric SMILES

CC[NH+](CC)[C@H](CNC1=NN=C(S1)[S-])C2=CC=CC=C2

InChI

InChI=1S/C14H20N4S2/c1-3-18(4-2)12(11-8-6-5-7-9-11)10-15-13-16-17-14(19)20-13/h5-9,12H,3-4,10H2,1-2H3,(H,15,16)(H,17,19)/t12-/m1/s1