6-(2,5-dimethoxyphenyl)-3-(phenylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 6-(2,5-dimethoxyphenyl)-3-(phenylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-benzylsulfanyl-6-(2,5-dimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(2,5-dimethoxyphenyl)-3-(phenylmethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-benzylsulfanyl-6-(2,5-dimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(benzylthio)-6-(2,5-dimethoxyphenyl)-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(=C(C=C1)OC)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=C(C=C1)OC)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5

InChI

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