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

Systemtic Name: 6-methyl-3-pentylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-methyl-3-pentylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-methyl-3-(pentylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-methyl-3-pentylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(amylthio)-6-methyl-[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:

CCCCCSC1=NC2=C(C3=CC=CC=C3N=C(O2)C)N=N1

Isomeric SMILES

CCCCCSC1=NC2=C(C3=CC=CC=C3N=C(O2)C)N=N1

InChI

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