1-[(4-ethylsulfanylphenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane Openeye Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-(2-furylmethyl)-1,4-diazepane CAS Name: 1-[[4-(ethylthio)phenyl]methyl]-4-(2-furanylmethyl)-1,4-diazepane IUPAC Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-(furan-2-ylmethyl)-1,4-diazepane Traditional Name: 1-[4-(ethylthio)benzyl]-4-(2-furfuryl)-1,4-diazepane Formula: C19H26N2OS MolecularWeight: 330.48754

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=CO3

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=CO3

InChI

InChI=1S/C19H26N2OS/c1-2-23-19-8-6-17(7-9-19)15-20-10-4-11-21(13-12-20)16-18-5-3-14-22-18/h3,5-9,14H,2,4,10-13,15-16H2,1H3