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

Systemtic Name: 3-butylsulfanyl-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-butylsulfanyl-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(butylthio)-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-butylsulfanyl-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(butylthio)-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3N=C(O2)C)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3N=C(O2)C)N=N1

InChI

InChI=1S/C15H16N4OS/c1-3-4-9-21-15-17-14-13(18-19-15)11-7-5-6-8-12(11)16-10(2)20-14/h5-8H,3-4,9H2,1-2H3