3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-[(2-methylphenyl)amino]-1,3,4-thiadiazole-2-thione

Systemtic Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-[(2-methylphenyl)amino]-1,3,4-thiadiazole-2-thione Openeye Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(2-methylanilino)-1,3,4-thiadiazole-2-thione CAS Name: 3-[[(2S)-2-ethyl-1-piperidin-1-iumyl]methyl]-5-(2-methylanilino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(2-methylanilino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-[[(2S)-2-ethylpiperidin-1-ium-1-yl]methyl]-5-(o-toluidino)-1,3,4-thiadiazole-2-thione Formula: C17H25N4S2+ MolecularWeight: 349.5372

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCC[NH+]1CN2C(=S)SC(=N2)NC3=CC=CC=C3C

Isomeric SMILES

CC[C@H]1CCCC[NH+]1CN2C(=S)SC(=N2)NC3=CC=CC=C3C

InChI

InChI=1S/C17H24N4S2/c1-3-14-9-6-7-11-20(14)12-21-17(22)23-16(19-21)18-15-10-5-4-8-13(15)2/h4-5,8,10,14H,3,6-7,9,11-12H2,1-2H3,(H,18,19)/p+1/t14-/m0/s1