(6R)-6-(2-bromanyl-5-methoxy-phenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: (6R)-6-(2-bromanyl-5-methoxy-phenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6R)-6-(2-bromo-5-methoxy-phenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6R)-6-(2-bromo-5-methoxyphenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6R)-6-(2-bromo-5-methoxyphenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6R)-6-(2-bromo-5-methoxy-phenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C18H15BrN4O2S MolecularWeight: 431.3063

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)Br)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC

Isomeric SMILES

COC1=CC(=C(C=C1)Br)[C@@H]2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC

InChI

InChI=1S/C18H15BrN4O2S/c1-24-10-7-8-13(19)12(9-10)16-20-14-6-4-3-5-11(14)15-17(25-16)21-18(26-2)23-22-15/h3-9,16,20H,1-2H3/t16-/m1/s1