1-[(6S)-6-(furan-2-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one

Systemtic Name: 1-[(6S)-6-(furan-2-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Openeye Name: 1-[(6S)-6-(2-furyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one CAS Name: 1-[(6S)-6-(2-furanyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-1-propanone IUPAC Name: 1-[(6S)-6-(furan-2-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Traditional Name: 1-[(6S)-6-(2-furyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]propan-1-one Formula: C18H16N4O3S MolecularWeight: 368.40964

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)N1C(OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CO4

Isomeric SMILES

CCC(=O)N1[C@@H](OC2=C(C3=CC=CC=C31)N=NC(=N2)SC)C4=CC=CO4

InChI

InChI=1S/C18H16N4O3S/c1-3-14(23)22-12-8-5-4-7-11(12)15-16(19-18(26-2)21-20-15)25-17(22)13-9-6-10-24-13/h4-10,17H,3H2,1-2H3/t17-/m0/s1