6,6-dimethyl-3-prop-2-enylsulfanyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 6,6-dimethyl-3-prop-2-enylsulfanyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-allylsulfanyl-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 6,6-dimethyl-3-(prop-2-enylthio)-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 6,6-dimethyl-3-prop-2-enylsulfanyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(allylthio)-6,6-dimethyl-7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C15H16N4OS MolecularWeight: 300.37874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(NC2=CC=CC=C2C3=C(O1)N=C(N=N3)SCC=C)C

Isomeric SMILES

CC1(NC2=CC=CC=C2C3=C(O1)N=C(N=N3)SCC=C)C

InChI

InChI=1S/C15H16N4OS/c1-4-9-21-14-16-13-12(18-19-14)10-7-5-6-8-11(10)17-15(2,3)20-13/h4-8,17H,1,9H2,2-3H3