6-(3-methoxy-2-phenylmethoxy-phenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 6-(3-methoxy-2-phenylmethoxy-phenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-(2-benzyloxy-3-methoxy-phenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(3-methoxy-2-phenylmethoxyphenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(3-methoxy-2-phenylmethoxyphenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-(2-benzoxy-3-methoxy-phenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C25H22N4O3S MolecularWeight: 458.53218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=CC=CC=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SC

Isomeric SMILES

COC1=CC=CC(=C1OCC2=CC=CC=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SC

InChI

InChI=1S/C25H22N4O3S/c1-30-20-14-8-12-18(22(20)31-15-16-9-4-3-5-10-16)23-26-19-13-7-6-11-17(19)21-24(32-23)27-25(33-2)29-28-21/h3-14,23,26H,15H2,1-2H3