4-[5-[[6-(hydroxymethyl)-1,2-dithiin-3-yl]methylsulfanyl]-2,3-dihydro-1,2,3,4-tetrazol-1-ium-1-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[5-[[6-(hydroxymethyl)-1,2-dithiin-3-yl]methylsulfanyl]-2,3-dihydro-1,2,3,4-tetrazol-1-ium-1-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[5-[[6-(hydroxymethyl)dithiin-3-yl]methylsulfanyl]-2,3-dihydrotetrazol-1-ium-1-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[5-[[6-(hydroxymethyl)-3-dithiinyl]methylthio]-2,3-dihydrotetrazol-1-ium-1-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[5-[[6-(hydroxymethyl)dithiin-3-yl]methylsulfanyl]-2,3-dihydrotetrazol-1-ium-1-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[5-[(6-methyloldithiin-3-yl)methylthio]-2,3-dihydrotetrazol-1-ium-1-ylidene]cyclohexa-2,5-dien-1-one Formula: C13H13N4O2S3+ MolecularWeight: 353.46292

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=O)C=CC1=[N+]2C(=NNN2)SCC3=CC=C(SS3)CO

Isomeric SMILES

C1=CC(=O)C=CC1=[N+]2C(=NNN2)SCC3=CC=C(SS3)CO

InChI

InChI=1S/C13H12N4O2S3/c18-7-11-5-6-12(22-21-11)8-20-13-14-15-16-17(13)9-1-3-10(19)4-2-9/h1-6,18-19H,7-8H2/p+1