5-diazo-2-methyl-3-phenylsulfanyl-cyclohexa-1,3-diene

Systemtic Name: 5-diazo-2-methyl-3-phenylsulfanyl-cyclohexa-1,3-diene Openeye Name: 5-diazo-2-methyl-3-phenylsulfanyl-cyclohexa-1,3-diene CAS Name: 5-diazo-2-methyl-3-(phenylthio)cyclohexa-1,3-diene IUPAC Name: 5-diazo-2-methyl-3-phenylsulfanylcyclohexa-1,3-diene Traditional Name: 5-diazo-2-methyl-3-(phenylthio)cyclohexa-1,3-diene Formula: C13H12N2S MolecularWeight: 228.31278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CCC(=[N+]=[N-])C=C1SC2=CC=CC=C2

Isomeric SMILES

CC1=CCC(=[N+]=[N-])C=C1SC2=CC=CC=C2

InChI

InChI=1S/C13H12N2S/c1-10-7-8-11(15-14)9-13(10)16-12-5-3-2-4-6-12/h2-7,9H,8H2,1H3