1-(1H-imidazol-5-ylmethyl)-3-(2-methylsulfanylethyl)-4-(naphthalen-1-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine

Systemtic Name: 1-(1H-imidazol-5-ylmethyl)-3-(2-methylsulfanylethyl)-4-(naphthalen-1-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Openeye Name: 1-(1H-imidazol-5-ylmethyl)-3-(2-methylsulfanylethyl)-4-(1-naphthylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine CAS Name: 1-(1H-imidazol-5-ylmethyl)-3-[2-(methylthio)ethyl]-4-(1-naphthalenylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine IUPAC Name: 1-(1H-imidazol-5-ylmethyl)-3-(2-methylsulfanylethyl)-4-(naphthalen-1-ylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Traditional Name: 1-(1H-imidazol-5-ylmethyl)-3-[2-(methylthio)ethyl]-4-(1-naphthylmethyl)-3,5-dihydro-2H-1,4-benzodiazepine Formula: C27H30N4S MolecularWeight: 442.6189

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSCCC1CN(C2=CC=CC=C2CN1CC3=CC=CC4=CC=CC=C43)CC5=CN=CN5

Isomeric SMILES

CSCCC1CN(C2=CC=CC=C2CN1CC3=CC=CC4=CC=CC=C43)CC5=CN=CN5

InChI

InChI=1S/C27H30N4S/c1-32-14-13-25-19-31(18-24-15-28-20-29-24)27-12-5-3-8-23(27)17-30(25)16-22-10-6-9-21-7-2-4-11-26(21)22/h2-12,15,20,25H,13-14,16-19H2,1H3,(H,28,29)