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

Systemtic Name: 3-ethylsulfanyl-6-(2-methylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-ethylsulfanyl-6-(o-tolyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(ethylthio)-6-(2-methylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-ethylsulfanyl-6-(2-methylphenyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(ethylthio)-6-(o-tolyl)-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C19H18N4OS MolecularWeight: 350.43742

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4C)N=N1

Isomeric SMILES

CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C4=CC=CC=C4C)N=N1

InChI

InChI=1S/C19H18N4OS/c1-3-25-19-21-18-16(22-23-19)14-10-6-7-11-15(14)20-17(24-18)13-9-5-4-8-12(13)2/h4-11,17,20H,3H2,1-2H3