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

Systemtic Name: 6-[3,5-bis(chloranyl)-2-methoxy-phenyl]-10-bromanyl-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-allylsulfanyl-10-bromo-6-(3,5-dichloro-2-methoxy-phenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 10-bromo-6-(3,5-dichloro-2-methoxyphenyl)-3-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 10-bromo-6-(3,5-dichloro-2-methoxyphenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(allylthio)-10-bromo-6-(3,5-dichloro-2-methoxy-phenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C20H15BrCl2N4O2S MolecularWeight: 526.2337

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SCC=C)Cl)Cl

Isomeric SMILES

COC1=C(C=C(C=C1C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SCC=C)Cl)Cl

InChI

InChI=1S/C20H15BrCl2N4O2S/c1-3-6-30-20-25-19-16(26-27-20)12-7-10(21)4-5-15(12)24-18(29-19)13-8-11(22)9-14(23)17(13)28-2/h3-5,7-9,18,24H,1,6H2,2H3