1-[2-(3-methylphenyl)sulfanylphenyl]-1,4-diazepane

Systemtic Name: 1-[2-(3-methylphenyl)sulfanylphenyl]-1,4-diazepane Openeye Name: 1-[2-(m-tolylsulfanyl)phenyl]-1,4-diazepane CAS Name: 1-[2-[(3-methylphenyl)thio]phenyl]-1,4-diazepane IUPAC Name: 1-[2-(3-methylphenyl)sulfanylphenyl]-1,4-diazepane Traditional Name: 1-[2-(m-tolylthio)phenyl]-1,4-diazepane Formula: C18H22N2S MolecularWeight: 298.44568

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)SC2=CC=CC=C2N3CCCNCC3

Isomeric SMILES

CC1=CC(=CC=C1)SC2=CC=CC=C2N3CCCNCC3

InChI

InChI=1S/C18H22N2S/c1-15-6-4-7-16(14-15)21-18-9-3-2-8-17(18)20-12-5-10-19-11-13-20/h2-4,6-9,14,19H,5,10-13H2,1H3