3-(2-methylsulfanylethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine

Systemtic Name: 3-(2-methylsulfanylethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Openeye Name: 3-(2-methylsulfanylethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine CAS Name: 3-[2-(methylthio)ethyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine IUPAC Name: 3-(2-methylsulfanylethyl)-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Traditional Name: 3-[2-(methylthio)ethyl]-2,3,4,5-tetrahydro-1H-1,4-benzodiazepine Formula: C12H18N2S MolecularWeight: 222.34972

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC1CNC2=CC=CC=C2CN1

Isomeric SMILES

CSCCC1CNC2=CC=CC=C2CN1

InChI

InChI=1S/C12H18N2S/c1-15-7-6-11-9-14-12-5-3-2-4-10(12)8-13-11/h2-5,11,13-14H,6-9H2,1H3