3-ethyl-7-methoxy-2-prop-2-enylsulfanyl-5H-1,3-benzodiazepine-4-thione

Systemtic Name: 3-ethyl-7-methoxy-2-prop-2-enylsulfanyl-5H-1,3-benzodiazepine-4-thione Openeye Name: 2-allylsulfanyl-3-ethyl-7-methoxy-5H-1,3-benzodiazepine-4-thione CAS Name: 3-ethyl-7-methoxy-2-(prop-2-enylthio)-5H-1,3-benzodiazepine-4-thione IUPAC Name: 3-ethyl-7-methoxy-2-prop-2-enylsulfanyl-5H-1,3-benzodiazepine-4-thione Traditional Name: 2-(allylthio)-3-ethyl-7-methoxy-5H-1,3-benzodiazepine-4-thione Formula: C15H18N2OS2 MolecularWeight: 306.44622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=S)CC2=C(C=CC(=C2)OC)N=C1SCC=C

Isomeric SMILES

CCN1C(=S)CC2=C(C=CC(=C2)OC)N=C1SCC=C

InChI

InChI=1S/C15H18N2OS2/c1-4-8-20-15-16-13-7-6-12(18-3)9-11(13)10-14(19)17(15)5-2/h4,6-7,9H,1,5,8,10H2,2-3H3