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

Systemtic Name: 3-(phenylmethylsulfanyl)-6-(2-propoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-benzylsulfanyl-6-(2-propoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(phenylmethylthio)-6-(2-propoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-benzylsulfanyl-6-(2-propoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(benzylthio)-6-(2-propoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C26H24N4O2S MolecularWeight: 456.55936

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC=C1C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5

Isomeric SMILES

CCCOC1=CC=CC=C1C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC5=CC=CC=C5

InChI

InChI=1S/C26H24N4O2S/c1-2-16-31-22-15-9-7-13-20(22)24-27-21-14-8-6-12-19(21)23-25(32-24)28-26(30-29-23)33-17-18-10-4-3-5-11-18/h3-15,24,27H,2,16-17H2,1H3