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

Systemtic Name: 6-(2-methoxy-5-nitro-phenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-(2-methoxy-5-nitro-phenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(2-methoxy-5-nitrophenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(2-methoxy-5-nitrophenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-(2-methoxy-5-nitro-phenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C18H15N5O4S MolecularWeight: 397.4078

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC

InChI

InChI=1S/C18H15N5O4S/c1-26-14-8-7-10(23(24)25)9-12(14)16-19-13-6-4-3-5-11(13)15-17(27-16)20-18(28-2)22-21-15/h3-9,16,19H,1-2H3