N-ethyl-4-(3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N-(phenylmethyl)aniline

Systemtic Name: N-ethyl-4-(3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)-N-(phenylmethyl)aniline Openeye Name: N-benzyl-N-ethyl-4-(3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)aniline CAS Name: N-ethyl-4-[3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]-N-(phenylmethyl)aniline IUPAC Name: N-benzyl-N-ethyl-4-(3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl)aniline Traditional Name: benzyl-ethyl-[4-[3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]phenyl]amine Formula: C26H25N5OS MolecularWeight: 455.5746

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SC

Isomeric SMILES

CCN(CC1=CC=CC=C1)C2=CC=C(C=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SC

InChI

InChI=1S/C26H25N5OS/c1-3-31(17-18-9-5-4-6-10-18)20-15-13-19(14-16-20)24-27-22-12-8-7-11-21(22)23-25(32-24)28-26(33-2)30-29-23/h4-16,24,27H,3,17H2,1-2H3