[(6S)-6-(2-ethoxynaphthalen-1-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-phenyl-methanone

Systemtic Name: [(6S)-6-(2-ethoxynaphthalen-1-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-phenyl-methanone Openeye Name: [(6S)-6-(2-ethoxy-1-naphthyl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-phenyl-methanone CAS Name: [(6S)-6-(2-ethoxy-1-naphthalenyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-phenylmethanone IUPAC Name: [(6S)-6-(2-ethoxynaphthalen-1-yl)-3-methylsulfanyl-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-phenylmethanone Traditional Name: [(6S)-6-(2-ethoxy-1-naphthyl)-3-(methylthio)-6H-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7-yl]-phenyl-methanone Formula: C30H24N4O3S MolecularWeight: 520.60156

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C2=CC=CC=C2C=C1)C3N(C4=CC=CC=C4C5=C(O3)N=C(N=N5)SC)C(=O)C6=CC=CC=C6

Isomeric SMILES

CCOC1=C(C2=CC=CC=C2C=C1)[C@H]3N(C4=CC=CC=C4C5=C(O3)N=C(N=N5)SC)C(=O)C6=CC=CC=C6

InChI

InChI=1S/C30H24N4O3S/c1-3-36-24-18-17-19-11-7-8-14-21(19)25(24)29-34(28(35)20-12-5-4-6-13-20)23-16-10-9-15-22(23)26-27(37-29)31-30(38-2)33-32-26/h4-18,29H,3H2,1-2H3/t29-/m0/s1