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

Systemtic Name: 3-[4-methyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-[4-methyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one CAS Name: 3-[4-methyl-3-[2-(4-morpholin-4-iumyl)ethylthio]-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[4-methyl-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[4-methyl-3-(2-morpholin-4-ium-4-ylethylthio)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Formula: C19H23N4O2S+ MolecularWeight: 371.47652

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC[NH+]4CCOCC4

Isomeric SMILES

CN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC[NH+]4CCOCC4

InChI

InChI=1S/C19H22N4O2S/c1-22-18(16-12-14-4-2-3-5-15(14)13-17(16)24)20-21-19(22)26-11-8-23-6-9-25-10-7-23/h2-5,12-13,20H,6-11H2,1H3/p+1