10-bromanyl-3-butylsulfanyl-6-(2-pentoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 10-bromanyl-3-butylsulfanyl-6-(2-pentoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 10-bromo-3-butylsulfanyl-6-(2-pentoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 10-bromo-3-(butylthio)-6-(2-pentoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 10-bromo-3-butylsulfanyl-6-(2-pentoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-(2-amoxyphenyl)-10-bromo-3-(butylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C25H29BrN4O2S MolecularWeight: 529.49236

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=CC=CC=C1C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SCCCC

Isomeric SMILES

CCCCCOC1=CC=CC=C1C2NC3=C(C=C(C=C3)Br)C4=C(O2)N=C(N=N4)SCCCC

InChI

InChI=1S/C25H29BrN4O2S/c1-3-5-9-14-31-21-11-8-7-10-18(21)23-27-20-13-12-17(26)16-19(20)22-24(32-23)28-25(30-29-22)33-15-6-4-2/h7-8,10-13,16,23,27H,3-6,9,14-15H2,1-2H3