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

Systemtic Name: 6-(3-ethoxyphenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 6-(3-ethoxyphenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6-(3-ethoxyphenyl)-3-(ethylthio)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6-(3-ethoxyphenyl)-3-ethylsulfanyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(ethylthio)-6-m-phenetyl-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20N4O2S/c1-3-25-14-9-7-8-13(12-14)18-21-16-11-6-5-10-15(16)17-19(26-18)22-20(24-23-17)27-4-2/h5-12,18,21H,3-4H2,1-2H3