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

Systemtic Name: 6-(3-bromophenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-allylsulfanyl-6-(3-bromophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(3-bromophenyl)-3-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(3-bromophenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(allylthio)-6-(3-bromophenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C19H15BrN4OS MolecularWeight: 427.3176

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H15BrN4OS/c1-2-10-26-19-22-18-16(23-24-19)14-8-3-4-9-15(14)21-17(25-18)12-6-5-7-13(20)11-12/h2-9,11,17,21H,1,10H2