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

Systemtic Name: 6-(4-ethoxy-3-methyl-phenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-allylsulfanyl-6-(4-ethoxy-3-methyl-phenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(4-ethoxy-3-methylphenyl)-3-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(4-ethoxy-3-methylphenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(allylthio)-6-(4-ethoxy-3-methyl-phenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SCC=C)C

InChI

InChI=1S/C22H22N4O2S/c1-4-12-29-22-24-21-19(25-26-22)16-8-6-7-9-17(16)23-20(28-21)15-10-11-18(27-5-2)14(3)13-15/h4,6-11,13,20,23H,1,5,12H2,2-3H3