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

Systemtic Name: 6-(4-chloranyl-3-nitro-phenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-(4-chloro-3-nitro-phenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(4-chloro-3-nitrophenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(4-chloro-3-nitrophenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-(4-chloro-3-nitro-phenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C17H12ClN5O3S MolecularWeight: 401.82688

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N=N1

Isomeric SMILES

CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)Cl)[N+](=O)[O-])N=N1

InChI

InChI=1S/C17H12ClN5O3S/c1-27-17-20-16-14(21-22-17)10-4-2-3-5-12(10)19-15(26-16)9-6-7-11(18)13(8-9)23(24)25/h2-8,15,19H,1H3