2-methoxy-6-nitro-4-(3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol

Systemtic Name: 2-methoxy-6-nitro-4-(3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol Openeye Name: 4-(3-allylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-methoxy-6-nitro-phenol CAS Name: 2-methoxy-6-nitro-4-[3-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol IUPAC Name: 2-methoxy-6-nitro-4-(3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)phenol Traditional Name: 4-[3-(allylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-methoxy-6-nitro-phenol Formula: C20H17N5O5S MolecularWeight: 439.44448

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1O)[N+](=O)[O-])C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C

Isomeric SMILES

COC1=CC(=CC(=C1O)[N+](=O)[O-])C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C

InChI

InChI=1S/C20H17N5O5S/c1-3-8-31-20-22-19-16(23-24-20)12-6-4-5-7-13(12)21-18(30-19)11-9-14(25(27)28)17(26)15(10-11)29-2/h3-7,9-10,18,21,26H,1,8H2,2H3