3-butylsulfanyl-6-[1-(furan-2-yl)prop-1-en-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 3-butylsulfanyl-6-[1-(furan-2-yl)prop-1-en-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-butylsulfanyl-6-[2-(2-furyl)-1-methyl-vinyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 3-(butylthio)-6-[1-(2-furanyl)prop-1-en-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 3-butylsulfanyl-6-[1-(furan-2-yl)prop-1-en-2-yl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(butylthio)-6-[2-(2-furyl)-1-methyl-vinyl]-6,7-dihydro-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C(=CC4=CC=CO4)C)N=N1

Isomeric SMILES

CCCCSC1=NC2=C(C3=CC=CC=C3NC(O2)C(=CC4=CC=CO4)C)N=N1

InChI

InChI=1S/C21H22N4O2S/c1-3-4-12-28-21-23-20-18(24-25-21)16-9-5-6-10-17(16)22-19(27-20)14(2)13-15-8-7-11-26-15/h5-11,13,19,22H,3-4,12H2,1-2H3