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

Systemtic Name: (6S)-3-ethylsulfanyl-6-(2,4,6-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6S)-3-ethylsulfanyl-6-(2,4,6-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6S)-3-(ethylthio)-6-(2,4,6-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6S)-3-ethylsulfanyl-6-(2,4,6-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6S)-3-(ethylthio)-6-(2,4,6-trimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=C(C=C4OC)OC)OC)N=N1

Isomeric SMILES

CCSC1=NC2=C(C3=CC=CC=C3N[C@@H](O2)C4=C(C=C(C=C4OC)OC)OC)N=N1

InChI

InChI=1S/C21H22N4O4S/c1-5-30-21-23-20-18(24-25-21)13-8-6-7-9-14(13)22-19(29-20)17-15(27-3)10-12(26-2)11-16(17)28-4/h6-11,19,22H,5H2,1-4H3/t19-/m0/s1