1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]-1,4-diazepane

Systemtic Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]-1,4-diazepane Openeye Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]-1,4-diazepane CAS Name: 1-[[4-(methylthio)phenyl]-(4-phenylphenyl)methyl]-1,4-diazepane IUPAC Name: 1-[(4-methylsulfanylphenyl)-(4-phenylphenyl)methyl]-1,4-diazepane Traditional Name: 1-[[4-(methylthio)phenyl]-(4-phenylphenyl)methyl]-1,4-diazepane Formula: C25H28N2S MolecularWeight: 388.56822

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCNCC4

Isomeric SMILES

CSC1=CC=C(C=C1)C(C2=CC=C(C=C2)C3=CC=CC=C3)N4CCCNCC4

InChI

InChI=1S/C25H28N2S/c1-28-24-14-12-23(13-15-24)25(27-18-5-16-26-17-19-27)22-10-8-21(9-11-22)20-6-3-2-4-7-20/h2-4,6-15,25-26H,5,16-19H2,1H3