(6S)-10-bromanyl-6-[(E)-2-(furan-2-yl)ethenyl]-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: (6S)-10-bromanyl-6-[(E)-2-(furan-2-yl)ethenyl]-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: (6S)-10-bromo-6-[(E)-2-(2-furyl)vinyl]-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: (6S)-10-bromo-6-[(E)-2-(2-furanyl)ethenyl]-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: (6S)-10-bromo-6-[(E)-2-(furan-2-yl)ethenyl]-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: (6S)-10-bromo-6-[(E)-2-(2-furyl)vinyl]-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C17H13BrN4O2S MolecularWeight: 417.27972

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=C(C3=C(C=CC(=C3)Br)NC(O2)C=CC4=CC=CO4)N=N1

Isomeric SMILES

CSC1=NC2=C(C3=C(C=CC(=C3)Br)N[C@@H](O2)/C=C/C4=CC=CO4)N=N1

InChI

InChI=1S/C17H13BrN4O2S/c1-25-17-20-16-15(21-22-17)12-9-10(18)4-6-13(12)19-14(24-16)7-5-11-3-2-8-23-11/h2-9,14,19H,1H3/b7-5+/t14-/m0/s1