[5-(3-chlorophenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium

Systemtic Name: [5-(3-chlorophenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Openeye Name: [5-(3-chlorophenyl)-2-furyl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)ammonium CAS Name: [5-(3-chlorophenyl)-2-furanyl]methyl-[3-(2-pyrimidinylthio)propyl]ammonium IUPAC Name: [5-(3-chlorophenyl)furan-2-yl]methyl-(3-pyrimidin-2-ylsulfanylpropyl)azanium Traditional Name: [5-(3-chlorophenyl)-2-furyl]methyl-[3-(2-pyrimidylthio)propyl]ammonium Formula: C18H19ClN3OS+ MolecularWeight: 360.88096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C[NH2+]CCCSC3=NC=CC=N3

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=CC=C(O2)C[NH2+]CCCSC3=NC=CC=N3

InChI

InChI=1S/C18H18ClN3OS/c19-15-5-1-4-14(12-15)17-7-6-16(23-17)13-20-8-3-11-24-18-21-9-2-10-22-18/h1-2,4-7,9-10,12,20H,3,8,11,13H2/p+1