1-[(4-ethylsulfanylphenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Openeye Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane CAS Name: 1-[[4-(ethylthio)phenyl]methyl]-4-[(6-methyl-2-pyridinyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-ethylsulfanylphenyl)methyl]-4-[(6-methylpyridin-2-yl)methyl]-1,4-diazepane Traditional Name: 1-[4-(ethylthio)benzyl]-4-[(6-methyl-2-pyridyl)methyl]-1,4-diazepane Formula: C21H29N3S MolecularWeight: 355.54006

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=CC(=N3)C

Isomeric SMILES

CCSC1=CC=C(C=C1)CN2CCCN(CC2)CC3=CC=CC(=N3)C

InChI

InChI=1S/C21H29N3S/c1-3-25-21-10-8-19(9-11-21)16-23-12-5-13-24(15-14-23)17-20-7-4-6-18(2)22-20/h4,6-11H,3,5,12-17H2,1-2H3