4-[3-methylsulfanyl-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[3-methylsulfanyl-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-methylsulfanyl-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-(methylthio)-4-[2-(4-morpholin-4-iumyl)ethyl]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-methylsulfanyl-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-(methylthio)-4-(2-morpholin-4-ium-4-ylethyl)-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C15H21N4O2S+ MolecularWeight: 321.41784

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NNC(=C2C=CC(=O)C=C2)N1CC[NH+]3CCOCC3

Isomeric SMILES

CSC1=NNC(=C2C=CC(=O)C=C2)N1CC[NH+]3CCOCC3

InChI

InChI=1S/C15H20N4O2S/c1-22-15-17-16-14(12-2-4-13(20)5-3-12)19(15)7-6-18-8-10-21-11-9-18/h2-5,16H,6-11H2,1H3/p+1