3-[(4-butylsulfanylphenyl)amino]-1-(4-nitrophenyl)propan-1-one

Systemtic Name: 3-[(4-butylsulfanylphenyl)amino]-1-(4-nitrophenyl)propan-1-one Openeye Name: 3-(4-butylsulfanylanilino)-1-(4-nitrophenyl)propan-1-one CAS Name: 3-[4-(butylthio)anilino]-1-(4-nitrophenyl)-1-propanone IUPAC Name: 3-(4-butylsulfanylanilino)-1-(4-nitrophenyl)propan-1-one Traditional Name: 3-[4-(butylthio)anilino]-1-(4-nitrophenyl)propan-1-one Formula: C19H22N2O3S MolecularWeight: 358.45458

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCSC1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C19H22N2O3S/c1-2-3-14-25-18-10-6-16(7-11-18)20-13-12-19(22)15-4-8-17(9-5-15)21(23)24/h4-11,20H,2-3,12-14H2,1H3