4-[1-(1,3-benzothiazol-5-yl)-1,2,3-triazol-4-yl]-4-oxidanyl-cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[1-(1,3-benzothiazol-5-yl)-1,2,3-triazol-4-yl]-4-oxidanyl-cyclohexa-2,5-dien-1-one Openeye Name: 4-[1-(1,3-benzothiazol-5-yl)triazol-4-yl]-4-hydroxy-cyclohexa-2,5-dien-1-one CAS Name: 4-[1-(1,3-benzothiazol-5-yl)-4-triazolyl]-4-hydroxy-1-cyclohexa-2,5-dienone IUPAC Name: 4-[1-(1,3-benzothiazol-5-yl)triazol-4-yl]-4-hydroxycyclohexa-2,5-dien-1-one Traditional Name: 4-[1-(1,3-benzothiazol-5-yl)triazol-4-yl]-4-hydroxy-cyclohexa-2,5-dien-1-one Formula: C15H10N4O2S MolecularWeight: 310.3305

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1N3C=C(N=N3)C4(C=CC(=O)C=C4)O)N=CS2

Isomeric SMILES

C1=CC2=C(C=C1N3C=C(N=N3)C4(C=CC(=O)C=C4)O)N=CS2

InChI

InChI=1S/C15H10N4O2S/c20-11-3-5-15(21,6-4-11)14-8-19(18-17-14)10-1-2-13-12(7-10)16-9-22-13/h1-9,21H