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

Systemtic Name: 6-(4-methoxyphenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-allylsulfanyl-6-(4-methoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(4-methoxyphenyl)-3-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(4-methoxyphenyl)-3-prop-2-enylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(allylthio)-6-(4-methoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C20H18N4O2S MolecularWeight: 378.44752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18N4O2S/c1-3-12-27-20-22-19-17(23-24-20)15-6-4-5-7-16(15)21-18(26-19)13-8-10-14(25-2)11-9-13/h3-11,18,21H,1,12H2,2H3