3-butylsulfanyl-6-(2,5-dimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 3-butylsulfanyl-6-(2,5-dimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-butylsulfanyl-6-(2,5-dimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(butylthio)-6-(2,5-dimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-butylsulfanyl-6-(2,5-dimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(butylthio)-6-(2,5-dimethoxyphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C22H24N4O3S MolecularWeight: 424.51596

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CC(=C4)OC)OC)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=C(C=CC(=C4)OC)OC)N=N1

InChI

InChI=1S/C22H24N4O3S/c1-4-5-12-30-22-24-21-19(25-26-22)15-8-6-7-9-17(15)23-20(29-21)16-13-14(27-2)10-11-18(16)28-3/h6-11,13,20,23H,4-5,12H2,1-3H3