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

Systemtic Name: 6-(3,4-dichlorophenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-(3,4-dichlorophenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(3,4-dichlorophenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(3,4-dichlorophenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-(3,4-dichlorophenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C17H12Cl2N4OS MolecularWeight: 391.27438

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)Cl)Cl)N=N1

Isomeric SMILES

CSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=C(C=C4)Cl)Cl)N=N1

InChI

InChI=1S/C17H12Cl2N4OS/c1-25-17-21-16-14(22-23-17)10-4-2-3-5-13(10)20-15(24-16)9-6-7-11(18)12(19)8-9/h2-8,15,20H,1H3