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

Systemtic Name: 6-[5-(3-bromophenyl)furan-2-yl]-3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-[5-(3-bromophenyl)-2-furyl]-3-(p-tolylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-[5-(3-bromophenyl)-2-furanyl]-3-[(4-methylphenyl)methylthio]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-[5-(3-bromophenyl)furan-2-yl]-3-[(4-methylphenyl)methylsulfanyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-[5-(3-bromophenyl)-2-furyl]-3-[(4-methylbenzyl)thio]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C28H21BrN4O2S MolecularWeight: 557.46094

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC=C(O5)C6=CC(=CC=C6)Br)N=N2

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC=C(O5)C6=CC(=CC=C6)Br)N=N2

InChI

InChI=1S/C28H21BrN4O2S/c1-17-9-11-18(12-10-17)16-36-28-31-27-25(32-33-28)21-7-2-3-8-22(21)30-26(35-27)24-14-13-23(34-24)19-5-4-6-20(29)15-19/h2-15,26,30H,16H2,1H3