4-[1-(morpholin-4-ium-4-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[1-(morpholin-4-ium-4-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-(morpholin-4-ium-4-ylmethyl)-4-phenyl-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[1-(4-morpholin-4-iumylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[1-(morpholin-4-ium-4-ylmethyl)-4-phenyl-5-sulfanylidene-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[1-(morpholin-4-ium-4-ylmethyl)-4-phenyl-5-thioxo-1,2,4-triazolidin-3-ylidene]cyclohexa-2,5-dien-1-one Formula: C19H21N4O2S+ MolecularWeight: 369.46064

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CN2C(=S)N(C(=C3C=CC(=O)C=C3)N2)C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CN2C(=S)N(C(=C3C=CC(=O)C=C3)N2)C4=CC=CC=C4

InChI

InChI=1S/C19H20N4O2S/c24-17-8-6-15(7-9-17)18-20-22(14-21-10-12-25-13-11-21)19(26)23(18)16-4-2-1-3-5-16/h1-9,20H,10-14H2/p+1