6-(5-bromanylthiophen-2-yl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 6-(5-bromanylthiophen-2-yl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-allylsulfanyl-6-(5-bromo-2-thienyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(5-bromo-2-thiophenyl)-3-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(5-bromothiophen-2-yl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(allylthio)-6-(5-bromo-2-thienyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C17H13BrN4OS2 MolecularWeight: 433.34532

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(S4)Br)N=N1

Isomeric SMILES

C=CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=C(S4)Br)N=N1

InChI

InChI=1S/C17H13BrN4OS2/c1-2-9-24-17-20-16-14(21-22-17)10-5-3-4-6-11(10)19-15(23-16)12-7-8-13(18)25-12/h2-8,15,19H,1,9H2