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

Systemtic Name: 6-(5-chloranyl-2,3-dimethoxy-phenyl)-3-(phenylmethylsulfanyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-benzylsulfanyl-6-(5-chloro-2,3-dimethoxy-phenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(5-chloro-2,3-dimethoxyphenyl)-3-(phenylmethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-benzylsulfanyl-6-(5-chloro-2,3-dimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(benzylthio)-6-(5-chloro-2,3-dimethoxy-phenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C25H21ClN4O3S MolecularWeight: 492.97724

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H21ClN4O3S/c1-31-20-13-16(26)12-18(22(20)32-2)23-27-19-11-7-6-10-17(19)21-24(33-23)28-25(30-29-21)34-14-15-8-4-3-5-9-15/h3-13,23,27H,14H2,1-2H3