3-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one

Systemtic Name: 3-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one Openeye Name: 3-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one CAS Name: 3-[[4-ethyl-5-(4-morpholin-4-iumylmethyl)-1,2,4-triazol-3-yl]thio]-4-phenyl-1H-quinolin-2-one IUPAC Name: 3-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-4-phenyl-1H-quinolin-2-one Traditional Name: 3-[[4-ethyl-5-(morpholin-4-ium-4-ylmethyl)-1,2,4-triazol-3-yl]thio]-4-phenyl-carbostyril Formula: C24H26N5O2S+ MolecularWeight: 448.56054

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SC2=C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4)C[NH+]5CCOCC5

Isomeric SMILES

CCN1C(=NN=C1SC2=C(C3=CC=CC=C3NC2=O)C4=CC=CC=C4)C[NH+]5CCOCC5

InChI

InChI=1S/C24H25N5O2S/c1-2-29-20(16-28-12-14-31-15-13-28)26-27-24(29)32-22-21(17-8-4-3-5-9-17)18-10-6-7-11-19(18)25-23(22)30/h3-11H,2,12-16H2,1H3,(H,25,30)/p+1