(6S)-10-bromanyl-6-(5-chloranyl-2-methoxy-phenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: (6S)-10-bromanyl-6-(5-chloranyl-2-methoxy-phenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6S)-10-bromo-6-(5-chloro-2-methoxy-phenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6S)-10-bromo-6-(5-chloro-2-methoxyphenyl)-3-(ethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6S)-10-bromo-6-(5-chloro-2-methoxyphenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6S)-10-bromo-6-(5-chloro-2-methoxy-phenyl)-3-(ethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C19H16BrClN4O2S MolecularWeight: 479.77794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C4=C(C=CC(=C4)Cl)OC)N=N1

Isomeric SMILES

CCSC1=NC2=C(C3=C(C=CC(=C3)Br)N[C@@H](O2)C4=C(C=CC(=C4)Cl)OC)N=N1

InChI

InChI=1S/C19H16BrClN4O2S/c1-3-28-19-23-18-16(24-25-19)12-8-10(20)4-6-14(12)22-17(27-18)13-9-11(21)5-7-15(13)26-2/h4-9,17,22H,3H2,1-2H3/t17-/m0/s1