1-[furan-2-yl-(4-methylsulfanylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[furan-2-yl-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[2-furyl-(4-methylsulfanylphenyl)methyl]-1,4-diazepane CAS Name: 1-[2-furanyl-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[furan-2-yl-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[2-furyl-[4-(methylthio)phenyl]methyl]-1,4-diazepane Formula: C17H22N2OS MolecularWeight: 302.43438

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=CO2)N3CCCNCC3

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=CO2)N3CCCNCC3

InChI

InChI=1S/C17H22N2OS/c1-21-15-7-5-14(6-8-15)17(16-4-2-13-20-16)19-11-3-9-18-10-12-19/h2,4-8,13,17-18H,3,9-12H2,1H3