1-[(4-ethylsulfanylphenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane

Systemtic Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Openeye Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-(3-pyridylmethyl)-1,4-diazepane CAS Name: 1-[[4-(ethylthio)phenyl]methyl]-4-(3-pyridinylmethyl)-1,4-diazepane IUPAC Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-(pyridin-3-ylmethyl)-1,4-diazepane Traditional Name: 1-[4-(ethylthio)benzyl]-4-(3-pyridylmethyl)-1,4-diazepane Formula: C20H27N3S MolecularWeight: 341.51348

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CN=CC=C3

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CN=CC=C3

InChI

InChI=1S/C20H27N3S/c1-2-24-20-8-6-18(7-9-20)16-22-11-4-12-23(14-13-22)17-19-5-3-10-21-15-19/h3,5-10,15H,2,4,11-14,16-17H2,1H3