10-bromanyl-3-prop-2-enylsulfanyl-spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane]

Systemtic Name: 10-bromanyl-3-prop-2-enylsulfanyl-spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane] Openeye Name: 3-allylsulfanyl-10-bromo-spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane] CAS Name: 10-bromo-3-(prop-2-enylthio)spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane] IUPAC Name: 10-bromo-3-prop-2-enylsulfanylspiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane] Traditional Name: 3-(allylthio)-10-bromo-spiro[7H-[1,2,4]triazino[5,6-d][3,1]benzoxazepine-6,1'-cyclohexane] Formula: C18H19BrN4OS MolecularWeight: 419.33866

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC4(O2)CCCCC4)N=N1

Isomeric SMILES

C=CCSC1=NC2=C(C3=C(C=CC(=C3)Br)NC4(O2)CCCCC4)N=N1

InChI

InChI=1S/C18H19BrN4OS/c1-2-10-25-17-20-16-15(22-23-17)13-11-12(19)6-7-14(13)21-18(24-16)8-4-3-5-9-18/h2,6-7,11,21H,1,3-5,8-10H2