5-[(4-methoxyphenyl)amino]-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(4-methoxyphenyl)amino]-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-methoxyanilino)-3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(4-methoxyanilino)-3-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(4-methoxyanilino)-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(p-anisidino)-3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C18H21N4OS3+ MolecularWeight: 405.58054

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

COC1=CC=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C18H20N4OS3/c1-23-14-8-6-13(7-9-14)19-17-20-22(18(24)26-17)12-21-10-2-4-15(21)16-5-3-11-25-16/h3,5-9,11,15H,2,4,10,12H2,1H3,(H,19,20)/p+1/t15-/m1/s1