5-[(2,4-dimethylphenyl)amino]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(2,4-dimethylphenyl)amino]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(2,4-dimethylanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(2,4-dimethylanilino)-3-(1-pyrrolidin-1-iumylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2,4-dimethylanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(2,4-dimethylanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C15H21N4S2+ MolecularWeight: 321.48404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC3)C

Isomeric SMILES

CC1=CC(=C(C=C1)NC2=NN(C(=S)S2)C[NH+]3CCCC3)C

InChI

InChI=1S/C15H20N4S2/c1-11-5-6-13(12(2)9-11)16-14-17-19(15(20)21-14)10-18-7-3-4-8-18/h5-6,9H,3-4,7-8,10H2,1-2H3,(H,16,17)/p+1