4-[[(4-octylsulfanylphenyl)amino]methylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[[(4-octylsulfanylphenyl)amino]methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(4-octylsulfanylanilino)methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[[4-(octylthio)anilino]methylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-octylsulfanylanilino)methylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[[4-(octylthio)anilino]methylene]cyclohexa-2,5-dien-1-one Formula: C21H27NOS MolecularWeight: 341.51018

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCSC1=CC=C(C=C1)NC=C2C=CC(=O)C=C2

Isomeric SMILES

CCCCCCCCSC1=CC=C(C=C1)NC=C2C=CC(=O)C=C2

InChI

InChI=1S/C21H27NOS/c1-2-3-4-5-6-7-16-24-21-14-10-19(11-15-21)22-17-18-8-12-20(23)13-9-18/h8-15,17,22H,2-7,16H2,1H3