9-(4-methylsulfanylphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole

Systemtic Name: 9-(4-methylsulfanylphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole Openeye Name: 9-(4-methylsulfanylphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole CAS Name: 9-[4-(methylthio)phenyl]-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole IUPAC Name: 9-(4-methylsulfanylphenyl)-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepino[1,7-a]indole Traditional Name: 9-[4-(methylthio)phenyl]-2,3,4,5,11,11a-hexahydro-1H-[1,4]diazepin[1,7-a]indole Formula: C19H22N2S MolecularWeight: 310.45638

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=C(C=C1)C2=CC3=C(C=C2)N4CCNCCC4C3

Isomeric SMILES

CSC1=CC=C(C=C1)C2=CC3=C(C=C2)N4CCNCCC4C3

InChI

InChI=1S/C19H22N2S/c1-22-18-5-2-14(3-6-18)15-4-7-19-16(12-15)13-17-8-9-20-10-11-21(17)19/h2-7,12,17,20H,8-11,13H2,1H3