2-chloranyl-4-[3-(phenylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol

Systemtic Name: 2-chloranyl-4-[3-(phenylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol Openeye Name: 4-(3-benzylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-chloro-phenol CAS Name: 2-chloro-4-[3-(phenylmethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenol IUPAC Name: 4-(3-benzylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-2-chlorophenol Traditional Name: 4-[3-(benzylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-2-chloro-phenol Formula: C23H17ClN4O2S MolecularWeight: 448.92468

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC(=C(C=C5)O)Cl)N=N2

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NC3=C(C4=CC=CC=C4NC(O3)C5=CC(=C(C=C5)O)Cl)N=N2

InChI

InChI=1S/C23H17ClN4O2S/c24-17-12-15(10-11-19(17)29)21-25-18-9-5-4-8-16(18)20-22(30-21)26-23(28-27-20)31-13-14-6-2-1-3-7-14/h1-12,21,25,29H,13H2