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

Systemtic Name: (6S)-3-ethylsulfanyl-6-phenyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6S)-3-ethylsulfanyl-6-phenyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6S)-3-(ethylthio)-6-phenyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6S)-3-ethylsulfanyl-6-phenyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6S)-3-(ethylthio)-6-phenyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C18H16N4OS MolecularWeight: 336.41084

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4)N=N1

Isomeric SMILES

CCSC1=NC2=C(C3=CC=CC=C3N[C@@H](O2)C4=CC=CC=C4)N=N1

InChI

InChI=1S/C18H16N4OS/c1-2-24-18-20-17-15(21-22-18)13-10-6-7-11-14(13)19-16(23-17)12-8-4-3-5-9-12/h3-11,16,19H,2H2,1H3/t16-/m0/s1