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

Systemtic Name: 6-(3,4-dimethoxyphenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-(3,4-dimethoxyphenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(3,4-dimethoxyphenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(3,4-dimethoxyphenyl)-3-methylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 6-(3,4-dimethoxyphenyl)-3-(methylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H18N4O3S/c1-24-14-9-8-11(10-15(14)25-2)17-20-13-7-5-4-6-12(13)16-18(26-17)21-19(27-3)23-22-16/h4-10,17,20H,1-3H3