10-bromanyl-6-methyl-3-prop-2-enylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine

Systemtic Name: 10-bromanyl-6-methyl-3-prop-2-enylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Openeye Name: 3-allylsulfanyl-10-bromo-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine CAS Name: 10-bromo-6-methyl-3-(prop-2-enylthio)-[1,2,4]triazino[5,6-d][3,1]benzoxazepine IUPAC Name: 10-bromo-6-methyl-3-prop-2-enylsulfanyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Traditional Name: 3-(allylthio)-10-bromo-6-methyl-[1,2,4]triazino[5,6-d][3,1]benzoxazepine Formula: C14H11BrN4OS MolecularWeight: 363.23234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=C(C=C2)Br)C3=C(O1)N=C(N=N3)SCC=C

Isomeric SMILES

CC1=NC2=C(C=C(C=C2)Br)C3=C(O1)N=C(N=N3)SCC=C

InChI

InChI=1S/C14H11BrN4OS/c1-3-6-21-14-17-13-12(18-19-14)10-7-9(15)4-5-11(10)16-8(2)20-13/h3-5,7H,1,6H2,2H3