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

Systemtic Name: 3-butylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-butylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(butylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-butylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(butylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C14H14N4OS MolecularWeight: 286.35216

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1

InChI

InChI=1S/C14H14N4OS/c1-2-3-8-20-14-16-13-12(17-18-14)10-6-4-5-7-11(10)15-9-19-13/h4-7,9H,2-3,8H2,1H3