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

Systemtic Name: 4-[[(4-dodecylphenyl)amino]-sulfanyl-methylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[(4-dodecylanilino)-sulfanyl-methylene]cyclohexa-2,5-dien-1-one CAS Name: 4-[(4-dodecylanilino)-mercaptomethylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[(4-dodecylanilino)-sulfanylmethylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[(4-laurylanilino)-mercapto-methylene]cyclohexa-2,5-dien-1-one Formula: C25H35NOS MolecularWeight: 397.6165

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCC1=CC=C(C=C1)NC(=C2C=CC(=O)C=C2)S

Isomeric SMILES

CCCCCCCCCCCCC1=CC=C(C=C1)NC(=C2C=CC(=O)C=C2)S

InChI

InChI=1S/C25H35NOS/c1-2-3-4-5-6-7-8-9-10-11-12-21-13-17-23(18-14-21)26-25(28)22-15-19-24(27)20-16-22/h13-20,26,28H,2-12H2,1H3