1-[(4-ethylsulfanylphenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane CAS Name: 1-[[4-(ethylthio)phenyl]methyl]-4-[(1-methyl-2-imidazolyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[4-(ethylthio)benzyl]-4-[(1-methylimidazol-2-yl)methyl]-1,4-diazepane Formula: C19H28N4S MolecularWeight: 344.51742

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=NC=CN3C

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=NC=CN3C

InChI

InChI=1S/C19H28N4S/c1-3-24-18-7-5-17(6-8-18)15-22-10-4-11-23(14-13-22)16-19-20-9-12-21(19)2/h5-9,12H,3-4,10-11,13-16H2,1-2H3