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

Systemtic Name: 3-[4-(2-methoxyethyl)-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Openeye Name: 3-[4-(2-methoxyethyl)-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one CAS Name: 3-[4-(2-methoxyethyl)-3-[2-(4-morpholin-4-iumyl)ethylthio]-1H-1,2,4-triazol-5-ylidene]-2-naphthalenone IUPAC Name: 3-[4-(2-methoxyethyl)-3-(2-morpholin-4-ium-4-ylethylsulfanyl)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Traditional Name: 3-[4-(2-methoxyethyl)-3-(2-morpholin-4-ium-4-ylethylthio)-1H-1,2,4-triazol-5-ylidene]naphthalen-2-one Formula: C21H27N4O3S+ MolecularWeight: 415.52908

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Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC[NH+]4CCOCC4

Isomeric SMILES

COCCN1C(=C2C=C3C=CC=CC3=CC2=O)NN=C1SCC[NH+]4CCOCC4

InChI

InChI=1S/C21H26N4O3S/c1-27-10-8-25-20(18-14-16-4-2-3-5-17(16)15-19(18)26)22-23-21(25)29-13-9-24-6-11-28-12-7-24/h2-5,14-15,22H,6-13H2,1H3/p+1