4-(3-methylsulfanylcyclohexa-1,3-dien-1-yl)-2-nitro-aniline

Systemtic Name: 4-(3-methylsulfanylcyclohexa-1,3-dien-1-yl)-2-nitro-aniline Openeye Name: 4-(3-methylsulfanylcyclohexa-1,3-dien-1-yl)-2-nitro-aniline CAS Name: 4-[3-(methylthio)-1-cyclohexa-1,3-dienyl]-2-nitroaniline IUPAC Name: 4-(3-methylsulfanylcyclohexa-1,3-dien-1-yl)-2-nitroaniline Traditional Name: [4-[3-(methylthio)cyclohexa-1,3-dien-1-yl]-2-nitro-phenyl]amine Formula: C13H14N2O2S MolecularWeight: 262.32746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CCCC(=C1)C2=CC(=C(C=C2)N)[N+](=O)[O-]

Isomeric SMILES

CSC1=CCCC(=C1)C2=CC(=C(C=C2)N)[N+](=O)[O-]

InChI

InChI=1S/C13H14N2O2S/c1-18-11-4-2-3-9(7-11)10-5-6-12(14)13(8-10)15(16)17/h4-8H,2-3,14H2,1H3