1-[(2-methylphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(2-methylphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfanylphenyl)-(o-tolyl)methyl]-1,4-diazepane CAS Name: 1-[(2-methylphenyl)-[4-(methylthio)phenyl]methyl]-1,4-diazepane IUPAC Name: 1-[(2-methylphenyl)-(4-methylsulfanylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[[4-(methylthio)phenyl]-(o-tolyl)methyl]-1,4-diazepane Formula: C20H26N2S MolecularWeight: 326.49884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCCNCC3

Isomeric SMILES

CC1=CC=CC=C1C(C2=CC=C(C=C2)SC)N3CCCNCC3

InChI

InChI=1S/C20H26N2S/c1-16-6-3-4-7-19(16)20(22-14-5-12-21-13-15-22)17-8-10-18(23-2)11-9-17/h3-4,6-11,20-21H,5,12-15H2,1-2H3