1,2-bis[5-(4-methylsulfanylphenyl)pyridin-2-yl]-1,4-diazepane

Systemtic Name: 1,2-bis[5-(4-methylsulfanylphenyl)pyridin-2-yl]-1,4-diazepane Openeye Name: 1,2-bis[5-(4-methylsulfanylphenyl)-2-pyridyl]-1,4-diazepane CAS Name: 1,2-bis[5-[4-(methylthio)phenyl]-2-pyridinyl]-1,4-diazepane IUPAC Name: 1,2-bis[5-(4-methylsulfanylphenyl)pyridin-2-yl]-1,4-diazepane Traditional Name: 1,2-bis[5-[4-(methylthio)phenyl]-2-pyridyl]-1,4-diazepane Formula: C29H30N4S2 MolecularWeight: 498.7053

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CN=C(C=C2)C3CNCCCN3C4=NC=C(C=C4)C5=CC=C(C=C5)SC

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CN=C(C=C2)C3CNCCCN3C4=NC=C(C=C4)C5=CC=C(C=C5)SC

InChI

InChI=1S/C29H30N4S2/c1-34-25-10-4-21(5-11-25)23-8-14-27(31-18-23)28-20-30-16-3-17-33(28)29-15-9-24(19-32-29)22-6-12-26(35-2)13-7-22/h4-15,18-19,28,30H,3,16-17,20H2,1-2H3