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

Systemtic Name: 5-[(3-methylphenyl)amino]-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Openeye Name: 5-(3-methylanilino)-3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione CAS Name: 5-(3-methylanilino)-3-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(3-methylanilino)-3-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Traditional Name: 5-(m-toluidino)-3-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]-1,3,4-thiadiazole-2-thione Formula: C18H21N4S3+ MolecularWeight: 389.58114

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CC1=CC(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C18H20N4S3/c1-13-5-2-6-14(11-13)19-17-20-22(18(23)25-17)12-21-9-3-7-15(21)16-8-4-10-24-16/h2,4-6,8,10-11,15H,3,7,9,12H2,1H3,(H,19,20)/p+1/t15-/m1/s1