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

Systemtic Name: (6S)-3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-3-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6S)-3-(p-tolylmethylsulfanyl)-6-(3-pyridyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6S)-3-[(4-methylphenyl)methylthio]-6-(3-pyridinyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6S)-3-[(4-methylphenyl)methylsulfanyl]-6-pyridin-3-yl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6S)-3-[(4-methylbenzyl)thio]-6-(3-pyridyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C23H19N5OS MolecularWeight: 413.49486

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CN=CC=C5)N=N2

Isomeric SMILES

CC1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4N[C@@H](O3)C5=CN=CC=C5)N=N2

InChI

InChI=1S/C23H19N5OS/c1-15-8-10-16(11-9-15)14-30-23-26-22-20(27-28-23)18-6-2-3-7-19(18)25-21(29-22)17-5-4-12-24-13-17/h2-13,21,25H,14H2,1H3/t21-/m0/s1