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

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

CCC1=CC=C(C=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC

Isomeric SMILES

CCC1=CC=C(C=C1)C2NC3=CC=CC=C3C4=C(O2)N=C(N=N4)SC

InChI

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