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

Systemtic Name: 5-[(2,3-dimethylphenyl)amino]-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(2,3-dimethylanilino)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(2,3-dimethylanilino)-3-(4-morpholin-4-iumylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2,3-dimethylanilino)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(2,3-dimethylanilino)-3-(morpholin-4-ium-4-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C15H21N4OS2+ MolecularWeight: 337.48344

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCOCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC2=NN(C(=S)S2)C[NH+]3CCOCC3)C

InChI

InChI=1S/C15H20N4OS2/c1-11-4-3-5-13(12(11)2)16-14-17-19(15(21)22-14)10-18-6-8-20-9-7-18/h3-5H,6-10H2,1-2H3,(H,16,17)/p+1