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

Systemtic Name: (6S)-3-ethylsulfanyl-6-pyridin-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6S)-3-ethylsulfanyl-6-(2-pyridyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6S)-3-(ethylthio)-6-(2-pyridinyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6S)-3-ethylsulfanyl-6-pyridin-2-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6S)-3-(ethylthio)-6-(2-pyridyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C17H15N5OS MolecularWeight: 337.3989

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=N4)N=N1

Isomeric SMILES

CCSC1=NC2=C(C3=CC=CC=C3N[C@@H](O2)C4=CC=CC=N4)N=N1

InChI

InChI=1S/C17H15N5OS/c1-2-24-17-20-16-14(21-22-17)11-7-3-4-8-12(11)19-15(23-16)13-9-5-6-10-18-13/h3-10,15,19H,2H2,1H3/t15-/m0/s1