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

Systemtic Name: 3-(morpholin-4-ium-4-ylmethyl)-5-[(4-phenoxyphenyl)amino]-1,3,4-thiadiazole-2-thione Openeye Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione CAS Name: 3-(4-morpholin-4-iumylmethyl)-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione IUPAC Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione Traditional Name: 3-(morpholin-4-ium-4-ylmethyl)-5-(4-phenoxyanilino)-1,3,4-thiadiazole-2-thione Formula: C19H21N4O2S2+ MolecularWeight: 401.52564

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)SC(=N2)NC3=CC=C(C=C3)OC4=CC=CC=C4

InChI

InChI=1S/C19H20N4O2S2/c26-19-23(14-22-10-12-24-13-11-22)21-18(27-19)20-15-6-8-17(9-7-15)25-16-4-2-1-3-5-16/h1-9H,10-14H2,(H,20,21)/p+1