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

Systemtic Name: (6S)-3-methylsulfanyl-6-phenyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6S)-3-methylsulfanyl-6-phenyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6S)-3-(methylthio)-6-phenyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6S)-3-methylsulfanyl-6-phenyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6S)-3-(methylthio)-6-phenyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C17H14N4OS MolecularWeight: 322.38426

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CSC1=NC2=C(C3=CC=CC=C3N[C@@H](O2)C4=CC=CC=C4)N=N1

InChI

InChI=1S/C17H14N4OS/c1-23-17-19-16-14(20-21-17)12-9-5-6-10-13(12)18-15(22-16)11-7-3-2-4-8-11/h2-10,15,18H,1H3/t15-/m0/s1