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

Systemtic Name: 6-(4-ethoxy-3-methoxy-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-methoxy-phenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(4-ethoxy-3-methoxyphenyl)-3-(prop-2-enylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(4-ethoxy-3-methoxyphenyl)-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-methoxy-phenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C22H22N4O3S MolecularWeight: 422.50008

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C22H22N4O3S/c1-4-12-30-22-24-21-19(25-26-22)15-8-6-7-9-16(15)23-20(29-21)14-10-11-17(28-5-2)18(13-14)27-3/h4,6-11,13,20,23H,1,5,12H2,2-3H3