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

Systemtic Name: 3-ethylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-ethylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(ethylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-ethylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(ethylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C12H10N4OS MolecularWeight: 258.299

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1

Isomeric SMILES

CCSC1=NC2=C(C3=CC=CC=C3N=CO2)N=N1

InChI

InChI=1S/C12H10N4OS/c1-2-18-12-14-11-10(15-16-12)8-5-3-4-6-9(8)13-7-17-11/h3-7H,2H2,1H3