1-[2-[2,5-bis(chloranyl)phenyl]sulfanylethyl]-1,4-diazepane

Systemtic Name: 1-[2-[2,5-bis(chloranyl)phenyl]sulfanylethyl]-1,4-diazepane Openeye Name: 1-[2-(2,5-dichlorophenyl)sulfanylethyl]-1,4-diazepane CAS Name: 1-[2-[(2,5-dichlorophenyl)thio]ethyl]-1,4-diazepane IUPAC Name: 1-[2-(2,5-dichlorophenyl)sulfanylethyl]-1,4-diazepane Traditional Name: 1-[2-[(2,5-dichlorophenyl)thio]ethyl]-1,4-diazepane Formula: C13H18Cl2N2S MolecularWeight: 305.26642

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCN(C1)CCSC2=C(C=CC(=C2)Cl)Cl

Isomeric SMILES

C1CNCCN(C1)CCSC2=C(C=CC(=C2)Cl)Cl

InChI

InChI=1S/C13H18Cl2N2S/c14-11-2-3-12(15)13(10-11)18-9-8-17-6-1-4-16-5-7-17/h2-3,10,16H,1,4-9H2