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

Systemtic Name: 6-(6-chloranyl-1,3-benzodioxol-5-yl)-3-(phenylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-benzylsulfanyl-6-(6-chloro-1,3-benzodioxol-5-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(6-chloro-1,3-benzodioxol-5-yl)-3-(phenylmethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-benzylsulfanyl-6-(6-chloro-1,3-benzodioxol-5-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(benzylthio)-6-(6-chloro-1,3-benzodioxol-5-yl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C24H17ClN4O3S MolecularWeight: 476.93478

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C(=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC6=CC=CC=C6)Cl

Isomeric SMILES

C1OC2=C(O1)C=C(C(=C2)C3NC4=CC=CC=C4C5=C(O3)N=C(N=N5)SCC6=CC=CC=C6)Cl

InChI

InChI=1S/C24H17ClN4O3S/c25-17-11-20-19(30-13-31-20)10-16(17)22-26-18-9-5-4-8-15(18)21-23(32-22)27-24(29-28-21)33-12-14-6-2-1-3-7-14/h1-11,22,26H,12-13H2