5-diazo-3,6-diethoxy-2-(4-methylphenyl)cyclohexa-1,3-diene-1-thiol

Systemtic Name: 5-diazo-3,6-diethoxy-2-(4-methylphenyl)cyclohexa-1,3-diene-1-thiol Openeye Name: 5-diazo-3,6-diethoxy-2-(p-tolyl)cyclohexa-1,3-diene-1-thiol CAS Name: 5-diazo-3,6-diethoxy-2-(4-methylphenyl)-1-cyclohexa-1,3-dienethiol IUPAC Name: 5-diazo-3,6-diethoxy-2-(4-methylphenyl)cyclohexa-1,3-diene-1-thiol Traditional Name: 5-diazo-3,6-diethoxy-2-(p-tolyl)cyclohexa-1,3-diene-1-thiol Formula: C17H20N2O2S MolecularWeight: 316.4179

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1C(=[N+]=[N-])C=C(C(=C1S)C2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCOC1C(=[N+]=[N-])C=C(C(=C1S)C2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C17H20N2O2S/c1-4-20-14-10-13(19-18)16(21-5-2)17(22)15(14)12-8-6-11(3)7-9-12/h6-10,16,22H,4-5H2,1-3H3