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

Systemtic Name: 4-[3-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[2-(4-morpholin-4-iumyl)ethylthio]-4-phenyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-(2-morpholin-4-ium-4-ylethylsulfanyl)-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-(2-morpholin-4-ium-4-ylethylthio)-4-phenyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C20H23N4O2S+ MolecularWeight: 383.48722

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Descriptors Computed from Structure

Canonical SMILES:

C1COCC[NH+]1CCSC2=NNC(=C3C=CC(=O)C=C3)N2C4=CC=CC=C4

Isomeric SMILES

C1COCC[NH+]1CCSC2=NNC(=C3C=CC(=O)C=C3)N2C4=CC=CC=C4

InChI

InChI=1S/C20H22N4O2S/c25-18-8-6-16(7-9-18)19-21-22-20(24(19)17-4-2-1-3-5-17)27-15-12-23-10-13-26-14-11-23/h1-9,21H,10-15H2/p+1