6-[5-(4-bromophenyl)furan-2-yl]-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 6-[5-(4-bromophenyl)furan-2-yl]-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-[5-(4-bromophenyl)-2-furyl]-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-[5-(4-bromophenyl)-2-furanyl]-3-(butylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-[5-(4-bromophenyl)furan-2-yl]-3-butylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-[5-(4-bromophenyl)-2-furyl]-3-(butylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C24H21BrN4O2S MolecularWeight: 509.41814

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC=C(C=C5)Br)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(O4)C5=CC=C(C=C5)Br)N=N1

InChI

InChI=1S/C24H21BrN4O2S/c1-2-3-14-32-24-27-23-21(28-29-24)17-6-4-5-7-18(17)26-22(31-23)20-13-12-19(30-20)15-8-10-16(25)11-9-15/h4-13,22,26H,2-3,14H2,1H3