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

Systemtic Name: 6-ethyl-3-methylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-ethyl-3-methylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-ethyl-3-(methylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-ethyl-3-methylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-ethyl-3-(methylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C13H12N4OS MolecularWeight: 272.32558

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C3=C(O1)N=C(N=N3)SC

Isomeric SMILES

CCC1=NC2=CC=CC=C2C3=C(O1)N=C(N=N3)SC

InChI

InChI=1S/C13H12N4OS/c1-3-10-14-9-7-5-4-6-8(9)11-12(18-10)15-13(19-2)17-16-11/h4-7H,3H2,1-2H3