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

Systemtic Name: 3-ethylsulfanyl-6-(3-phenoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-ethylsulfanyl-6-(3-phenoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(ethylthio)-6-(3-phenoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-ethylsulfanyl-6-(3-phenoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(ethylthio)-6-(3-phenoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C24H20N4O2S MolecularWeight: 428.5062

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC=C4)OC5=CC=CC=C5)N=N1

Isomeric SMILES

CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC(=CC=C4)OC5=CC=CC=C5)N=N1

InChI

InChI=1S/C24H20N4O2S/c1-2-31-24-26-23-21(27-28-24)19-13-6-7-14-20(19)25-22(30-23)16-9-8-12-18(15-16)29-17-10-4-3-5-11-17/h3-15,22,25H,2H2,1H3