1-[2,6-bis(chloranyl)-4-(phenylsulfanylmethyl)pyridin-3-yl]hept-6-en-1-one

Systemtic Name: 1-[2,6-bis(chloranyl)-4-(phenylsulfanylmethyl)pyridin-3-yl]hept-6-en-1-one Openeye Name: 1-[2,6-dichloro-4-(phenylsulfanylmethyl)-3-pyridyl]hept-6-en-1-one CAS Name: 1-[2,6-dichloro-4-[(phenylthio)methyl]-3-pyridinyl]-6-hepten-1-one IUPAC Name: 1-[2,6-dichloro-4-(phenylsulfanylmethyl)pyridin-3-yl]hept-6-en-1-one Traditional Name: 1-[2,6-dichloro-4-[(phenylthio)methyl]-3-pyridyl]hept-6-en-1-one Formula: C19H19Cl2NOS MolecularWeight: 380.33126

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCCCC(=O)C1=C(N=C(C=C1CSC2=CC=CC=C2)Cl)Cl

Isomeric SMILES

C=CCCCCC(=O)C1=C(N=C(C=C1CSC2=CC=CC=C2)Cl)Cl

InChI

InChI=1S/C19H19Cl2NOS/c1-2-3-4-8-11-16(23)18-14(12-17(20)22-19(18)21)13-24-15-9-6-5-7-10-15/h2,5-7,9-10,12H,1,3-4,8,11,13H2