3-[4-ethyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one

Systemtic Name: 3-[4-ethyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-[4-ethyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one CAS Name: 3-[4-ethyl-3-[2-(4-morpholin-4-iumyl)ethylthio]-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[4-ethyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[4-ethyl-3-(2-morpholin-4-ium-4-ylethylthio)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Formula: C20H25N4O2S+ MolecularWeight: 385.5031

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC[NH+]4CCOCC4

Isomeric SMILES

CCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC[NH+]4CCOCC4

InChI

InChI=1S/C20H24N4O2S/c1-2-24-19(17-13-15-5-3-4-6-16(15)14-18(17)25)21-22-20(24)27-12-9-23-7-10-26-11-8-23/h3-6,13-14,21H,2,7-12H2,1H3/p+1