1-(3-bromophenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine

Systemtic Name: 1-(3-bromophenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine Openeye Name: 1-(3-bromophenyl)-N-methyl-N-tetrahydrothiophen-3-yl-ethane-1,2-diamine CAS Name: 1-(3-bromophenyl)-N-methyl-N-(3-thiolanyl)ethane-1,2-diamine IUPAC Name: 1-(3-bromophenyl)-N-methyl-N-(thiolan-3-yl)ethane-1,2-diamine Traditional Name: [2-amino-1-(3-bromophenyl)ethyl]-methyl-tetrahydrothiophen-3-yl-amine Formula: C13H19BrN2S MolecularWeight: 315.27236

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1CCSC1)C(CN)C2=CC(=CC=C2)Br

Isomeric SMILES

CN(C1CCSC1)C(CN)C2=CC(=CC=C2)Br

InChI

InChI=1S/C13H19BrN2S/c1-16(12-5-6-17-9-12)13(8-15)10-3-2-4-11(14)7-10/h2-4,7,12-13H,5-6,8-9,15H2,1H3