3-ethylsulfanyl-6-[(Z)-1-phenylprop-1-en-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 3-ethylsulfanyl-6-[(Z)-1-phenylprop-1-en-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-ethylsulfanyl-6-[(Z)-1-methyl-2-phenyl-vinyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(ethylthio)-6-[(Z)-1-phenylprop-1-en-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-ethylsulfanyl-6-[(Z)-1-phenylprop-1-en-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(ethylthio)-6-[(Z)-1-methyl-2-phenyl-vinyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C21H20N4OS MolecularWeight: 376.4747

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(C3=CC=CC=C3NC(O2)C(=CC4=CC=CC=C4)C)N=N1

Isomeric SMILES

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

InChI

InChI=1S/C21H20N4OS/c1-3-27-21-23-20-18(24-25-21)16-11-7-8-12-17(16)22-19(26-20)14(2)13-15-9-5-4-6-10-15/h4-13,19,22H,3H2,1-2H3/b14-13-