3-hexylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 3-hexylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-hexylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(hexylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-hexylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(hexylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C16H18N4OS MolecularWeight: 314.40532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1

Isomeric SMILES

CCCCCCSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1

InChI

InChI=1S/C16H18N4OS/c1-2-3-4-7-10-22-16-18-15-14(19-20-16)12-8-5-6-9-13(12)17-11-21-15/h5-6,8-9,11H,2-4,7,10H2,1H3