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

Systemtic Name: 6-(5-chloranyl-2,3-dimethoxy-phenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-allylsulfanyl-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-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(5-chloro-2,3-dimethoxyphenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(allylthio)-6-(5-chloro-2,3-dimethoxy-phenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C21H19ClN4O3S MolecularWeight: 442.91856

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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)SCC=C)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O3S/c1-4-9-30-21-24-20-17(25-26-21)13-7-5-6-8-15(13)23-19(29-20)14-10-12(22)11-16(27-2)18(14)28-3/h4-8,10-11,19,23H,1,9H2,2-3H3