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

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

CCCSC1=NC2=C(C3=CC=CC=C3N=C(O2)C)N=N1

Isomeric SMILES

CCCSC1=NC2=C(C3=CC=CC=C3N=C(O2)C)N=N1

InChI

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