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

Systemtic Name: 3-prop-2-enylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-allylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(prop-2-enylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-prop-2-enylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(allylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C13H10N4OS MolecularWeight: 270.3097

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10N4OS/c1-2-7-19-13-15-12-11(16-17-13)9-5-3-4-6-10(9)14-8-18-12/h2-6,8H,1,7H2